3-[(Cyclopentylmethyl)amino]-N,N-dimethylbenzamide

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Basic information

CAS: 919799-95-4
Standard SMILES: CN(C)C(=O)c1cccc(NCC2CCCC2)c1
InChIKey: JQFMFRSGGRPKKX-UHFFFAOYSA-N
Molecular formula: C15H22N2O
Average molar mass: 246.35 g/mol
Monoisotopic mass: 246.17321333

Names & identifiers

Preferred name: 3-[(Cyclopentylmethyl)amino]-N,N-dimethylbenzamide
IUPAC: 3-(cyclopentylmethylamino)-N,N-dimethylbenzamide

Names & synonyms

919799-95-43-[(Cyclopentylmethyl)amino]-N,N-dimethylbenzamideSCHEMBL1241136DTXSID10734324JQFMFRSGGRPKKX-UHFFFAOYSA-NAKOS0113490813-(cyclopentylmethyl-amino)-N,N-dimethyl-benzamide

Database identifiers

CAS: 919799-95-4
PubChem CID: 62070873
DTXSID: DTXSID10734324

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 272

Related reactions

5 records

New reaction record

HRID 1221844As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1363756As reactantuspto-grants-2011_02

HRID 1363757As reactantuspto-grants-2011_02

HRID 2043940As reactantuspto-grants-2013_11

HRID 2043941As reactantuspto-grants-2013_11

Compound notes

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