(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide

C16H24N2O2 — CID 79004655

IUPAC(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C16H24N2O2/c17-14(11-13-7-3-1-4-8-13)15(19)18-12-16(20)9-5-2-6-10-16/h1,3-4,7-8,14,20H,2,5-6,9-12,17H2,(H,18,19)/t14-/m0/s1
InChIKeyIKXOJKRMNVSAQG-AWEZNQCLSA-N
MW276.38 g/mol
LogP1.37
Rot. Bonds5

About (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide

(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide (PubChem CID 79004655) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
PubChem CID79004655
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C16H24N2O2/c17-14(11-13-7-3-1-4-8-13)15(19)18-12-16(20)9-5-2-6-10-16/h1,3-4,7-8,14,20H,2,5-6,9-12,17H2,(H,18,19)/t14-/m0/s1
InChIKeyIKXOJKRMNVSAQG-AWEZNQCLSA-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

(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpropanamide
CID 81130811
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
(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-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
CID 20668330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide (CID 79004655) is (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide?
The InChIKey is IKXOJKRMNVSAQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14(11-13-7-3-1-4-8-13)15(19)18-12-16(20)9-5-2-6-10-16/h1,3-4,7-8,14,20H,2,5-6,9-12,17H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-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 (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 79004655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).