N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide

C16H24N2O3 — CID 115365522

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CN)CCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-13-6-5-12(9-14(13)21-2)15(19)18-11-16(10-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10-11,17H2,1-2H3,(H,18,19)
InChIKeyGTWXFOYNUYRXMD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide (PubChem CID 115365522) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
PubChem CID115365522
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CN)CCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-13-6-5-12(9-14(13)21-2)15(19)18-11-16(10-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10-11,17H2,1-2H3,(H,18,19)
InChIKeyGTWXFOYNUYRXMD-UHFFFAOYSA-N
XLogP1.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
CID 67545488
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115267482
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide (CID 115365522) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2(CN)CCCC2)cc1OC.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is GTWXFOYNUYRXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-13-6-5-12(9-14(13)21-2)15(19)18-11-16(10-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 115365522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).