N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide

C16H24N2O3 — CID 119568346

IUPACN-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC2(CN)CCCC2)cc(OC)c1C
InChIInChI=1S/C16H24N2O3/c1-11-13(20-2)8-12(9-14(11)21-3)15(19)18-16(10-17)6-4-5-7-16/h8-9H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyLNDRXNREAPZXNK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide

N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 119568346) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID119568346
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC2(CN)CCCC2)cc(OC)c1C
InChIInChI=1S/C16H24N2O3/c1-11-13(20-2)8-12(9-14(11)21-3)15(19)18-16(10-17)6-4-5-7-16/h8-9H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyLNDRXNREAPZXNK-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
CID 65432344
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81119763
N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119565765
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide (CID 119568346) is N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NC2(CN)CCCC2)cc(OC)c1C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is LNDRXNREAPZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-13(20-2)8-12(9-14(11)21-3)15(19)18-16(10-17)6-4-5-7-16/h8-9H,4-7,10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 119568346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).