(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide

C15H22N2O2 — CID 104897811

IUPAC(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
SMILESN[C@H](C(=O)NC1(CO)CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-13(12-7-3-1-4-8-12)14(19)17-15(11-18)9-5-2-6-10-15/h1,3-4,7-8,13,18H,2,5-6,9-11,16H2,(H,17,19)/t13-/m0/s1
InChIKeyRRTNRVLBXLARQI-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds4

About (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide

(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide (PubChem CID 104897811) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
PubChem CID104897811
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
SMILESN[C@H](C(=O)NC1(CO)CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-13(12-7-3-1-4-8-12)14(19)17-15(11-18)9-5-2-6-10-15/h1,3-4,7-8,13,18H,2,5-6,9-11,16H2,(H,17,19)/t13-/m0/s1
InChIKeyRRTNRVLBXLARQI-ZDUSSCGKSA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopentyl]acetic acid
CID 64701118
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
CID 104984321
1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
CID 104898019
2-amino-N-(1-methylcyclopropyl)-2-phenylacetamide
CID 115747036
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436319
N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
(2R)-2-(dimethylamino)-N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 97154573

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide (CID 104897811) is (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide is N[C@H](C(=O)NC1(CO)CCCCC1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide?
The InChIKey is RRTNRVLBXLARQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13(12-7-3-1-4-8-12)14(19)17-15(11-18)9-5-2-6-10-15/h1,3-4,7-8,13,18H,2,5-6,9-11,16H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide?
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.50, 4 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-(hydroxymethyl)cyclohexyl]-2-phenylacetamide is sourced from PubChem (CID 104897811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).