3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide

C16H24N2O3 — CID 103965168

IUPAC3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CO)CCCCC2)cc1N
InChIInChI=1S/C16H24N2O3/c1-21-14-6-5-12(9-13(14)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20)
InChIKeyIGWPEDMQKURUFS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide

3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide (PubChem CID 103965168) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
PubChem CID103965168
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CO)CCCCC2)cc1N
InChIInChI=1S/C16H24N2O3/c1-21-14-6-5-12(9-13(14)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20)
InChIKeyIGWPEDMQKURUFS-UHFFFAOYSA-N
XLogP1.95
TPSA84.58 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide (CID 103965168) is 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(CO)CCCCC2)cc1N.
What is the InChIKey of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The InChIKey is IGWPEDMQKURUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-14-6-5-12(9-13(14)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 103965168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).