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

C21H26N2O3 — CID 67545488

IUPACN-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C3(CN)CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-18-10-5-15(13-19(18)26-2)20(24)23-17-8-6-16(7-9-17)21(14-22)11-3-4-12-21/h5-10,13H,3-4,11-12,14,22H2,1-2H3,(H,23,24)
InChIKeyUCOYTVRNWIXITC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.73
Rot. Bonds6

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

N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 67545488) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID67545488
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C3(CN)CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-18-10-5-15(13-19(18)26-2)20(24)23-17-8-6-16(7-9-17)21(14-22)11-3-4-12-21/h5-10,13H,3-4,11-12,14,22H2,1-2H3,(H,23,24)
InChIKeyUCOYTVRNWIXITC-UHFFFAOYSA-N
XLogP3.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405595
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 67545489
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide (CID 67545488) is N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C3(CN)CCCC3)cc2)cc1OC.
What is the InChIKey of N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is UCOYTVRNWIXITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-18-10-5-15(13-19(18)26-2)20(24)23-17-8-6-16(7-9-17)21(14-22)11-3-4-12-21/h5-10,13H,3-4,11-12,14,22H2,1-2H3,(H,23,24).
What are the key properties of N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 67545488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).