N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide

C16H24N2O3 — CID 106124772

IUPACN-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC(N)CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-14-8-5-12(9-15(14)21-2)16(19)18-10-11-3-6-13(17)7-4-11/h5,8-9,11,13H,3-4,6-7,10,17H2,1-2H3,(H,18,19)
InChIKeyIQCFMUONCLQYGS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds5

About N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide

N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide (PubChem CID 106124772) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
PubChem CID106124772
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC(N)CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-14-8-5-12(9-15(14)21-2)16(19)18-10-11-3-6-13(17)7-4-11/h5,8-9,11,13H,3-4,6-7,10,17H2,1-2H3,(H,18,19)
InChIKeyIQCFMUONCLQYGS-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-aminocyclohexyl)methyl]-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

N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide (CID 106124772) is N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCC(N)CC2)cc1OC.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is IQCFMUONCLQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-14-8-5-12(9-15(14)21-2)16(19)18-10-11-3-6-13(17)7-4-11/h5,8-9,11,13H,3-4,6-7,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide?
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 106124772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).