2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

C16H24N2O2 — CID 103965193

IUPAC2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESNc1cccc(CC(=O)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c17-14-6-4-5-13(9-14)10-15(20)18-11-16(12-19)7-2-1-3-8-16/h4-6,9,19H,1-3,7-8,10-12,17H2,(H,18,20)
InChIKeyRPQVATRYBKYKPD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds5

About 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 103965193) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID103965193
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESNc1cccc(CC(=O)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c17-14-6-4-5-13(9-14)10-15(20)18-11-16(12-19)7-2-1-3-8-16/h4-6,9,19H,1-3,7-8,10-12,17H2,(H,18,20)
InChIKeyRPQVATRYBKYKPD-UHFFFAOYSA-N
XLogP1.87
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433600
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701267
2-[1-[[3-(3-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341623
N-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-phenylacetamide
CID 142097923
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide
CID 71848857
2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide
CID 55083856
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313079

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 103965193) is 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is Nc1cccc(CC(=O)NCC2(CO)CCCCC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is RPQVATRYBKYKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14-6-4-5-13(9-14)10-15(20)18-11-16(12-19)7-2-1-3-8-16/h4-6,9,19H,1-3,7-8,10-12,17H2,(H,18,20).
What are the key properties of 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 103965193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).