(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide

C17H26N2O3 — CID 87998484

IUPAC(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide
SMILESN[C@H](CCC1CCCCC1)C(O)C(=O)NOc1ccccc1
InChIInChI=1S/C17H26N2O3/c18-15(12-11-13-7-3-1-4-8-13)16(20)17(21)19-22-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,20H,1,3-4,7-8,11-12,18H2,(H,19,21)/t15-,16?/m1/s1
InChIKeyJBBUVCSCQWCDHZ-AAFJCEBUSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds7

About (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide

(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide (PubChem CID 87998484) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide.

Molecular Properties

Compound Name(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide
PubChem CID87998484
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide
SMILESN[C@H](CCC1CCCCC1)C(O)C(=O)NOc1ccccc1
InChIInChI=1S/C17H26N2O3/c18-15(12-11-13-7-3-1-4-8-13)16(20)17(21)19-22-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,20H,1,3-4,7-8,11-12,18H2,(H,19,21)/t15-,16?/m1/s1
InChIKeyJBBUVCSCQWCDHZ-AAFJCEBUSA-N
XLogP2.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide
CID 87998409
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
CID 91156388
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide
CID 10273480
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide?
The IUPAC name of (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide (CID 87998484) is (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide.
What is the SMILES notation for (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide?
The canonical SMILES for (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide is N[C@H](CCC1CCCCC1)C(O)C(=O)NOc1ccccc1.
What is the InChIKey of (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide?
The InChIKey is JBBUVCSCQWCDHZ-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H26N2O3/c18-15(12-11-13-7-3-1-4-8-13)16(20)17(21)19-22-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,20H,1,3-4,7-8,11-12,18H2,(H,19,21)/t15-,16?/m1/s1.
What are the key properties of (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide?
(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide is sourced from PubChem (CID 87998484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).