1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide

C16H24N2O3 — CID 143504731

IUPAC1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1(NCO)CCCCC1
InChIInChI=1S/C16H24N2O3/c19-11-14(13-7-3-1-4-8-13)18-15(21)16(17-12-20)9-5-2-6-10-16/h1,3-4,7-8,14,17,19-20H,2,5-6,9-12H2,(H,18,21)/t14-/m1/s1
InChIKeyXWASVXHQRRYGAH-CQSZACIVSA-N
MW292.38 g/mol
LogP1.08
Rot. Bonds6

About 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide

1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 143504731) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide
PubChem CID143504731
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1(NCO)CCCCC1
InChIInChI=1S/C16H24N2O3/c19-11-14(13-7-3-1-4-8-13)18-15(21)16(17-12-20)9-5-2-6-10-16/h1,3-4,7-8,14,17,19-20H,2,5-6,9-12H2,(H,18,21)/t14-/m1/s1
InChIKeyXWASVXHQRRYGAH-CQSZACIVSA-N
XLogP1.08
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
N-[(1R)-2-hydroxy-1-phenylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50984628
4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103945288
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 110001954
2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862841
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide
CID 107863291

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide (CID 143504731) is 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide is O=C(N[C@H](CO)c1ccccc1)C1(NCO)CCCCC1.
What is the InChIKey of 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is XWASVXHQRRYGAH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-11-14(13-7-3-1-4-8-13)18-15(21)16(17-12-20)9-5-2-6-10-16/h1,3-4,7-8,14,17,19-20H,2,5-6,9-12H2,(H,18,21)/t14-/m1/s1.
What are the key properties of 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide?
1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 143504731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).