2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C17H26N2O2 — CID 107862841

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESNCC1(CC(=O)N[C@H](CO)c2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-13-17(9-5-2-6-10-17)11-16(21)19-15(12-20)14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13,18H2,(H,19,21)/t15-/m1/s1
InChIKeyFHNPYBXUCDJXLI-OAHLLOKOSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 107862841) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID107862841
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESNCC1(CC(=O)N[C@H](CO)c2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-13-17(9-5-2-6-10-17)11-16(21)19-15(12-20)14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13,18H2,(H,19,21)/t15-/m1/s1
InChIKeyFHNPYBXUCDJXLI-OAHLLOKOSA-N
XLogP2.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide 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

2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid
CID 64679597
1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide
CID 143504731
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107861946
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 81312733
3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 79854454
4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
CID 81080405
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 107862841) is 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is NCC1(CC(=O)N[C@H](CO)c2ccccc2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is FHNPYBXUCDJXLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-13-17(9-5-2-6-10-17)11-16(21)19-15(12-20)14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13,18H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 107862841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).