2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide

C16H24N2O2 — CID 62553374

IUPAC2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O2/c17-14(11-13-7-3-1-4-8-13)15(20)18-16(12-19)9-5-2-6-10-16/h1,3-4,7-8,14,19H,2,5-6,9-12,17H2,(H,18,20)
InChIKeyOVTNCYYVIWUAAB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.37
Rot. Bonds5

About 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide

2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide (PubChem CID 62553374) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
PubChem CID62553374
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O2/c17-14(11-13-7-3-1-4-8-13)15(20)18-16(12-19)9-5-2-6-10-16/h1,3-4,7-8,14,19H,2,5-6,9-12,17H2,(H,18,20)
InChIKeyOVTNCYYVIWUAAB-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
CID 104984321
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
CID 20668330
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
CID 114350792
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
CID 10587559
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide (CID 62553374) is 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide?
The InChIKey is OVTNCYYVIWUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14(11-13-7-3-1-4-8-13)15(20)18-16(12-19)9-5-2-6-10-16/h1,3-4,7-8,14,19H,2,5-6,9-12,17H2,(H,18,20).
What are the key properties of 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide?
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 62553374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).