(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide

C20H31N3O4 — CID 87998409

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NOCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H31N3O4/c21-17(13-16-9-5-2-6-10-16)19(25)20(26)23-27-14-18(24)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19,25H,2,5-6,9-14,21H2,(H,22,24)(H,23,26)/t17-,19?/m1/s1
InChIKeySLFSLIVXDWGLJM-DUSLRRAJSA-N
MW377.49 g/mol
LogP1.05
Rot. Bonds10

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide (PubChem CID 87998409) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide
PubChem CID87998409
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NOCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H31N3O4/c21-17(13-16-9-5-2-6-10-16)19(25)20(26)23-27-14-18(24)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19,25H,2,5-6,9-14,21H2,(H,22,24)(H,23,26)/t17-,19?/m1/s1
InChIKeySLFSLIVXDWGLJM-DUSLRRAJSA-N
XLogP1.05
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
CID 91156388
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
CID 21199079
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide
CID 87998484
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide (CID 87998409) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide is N[C@H](CC1CCCCC1)C(O)C(=O)NOCC(=O)NCCc1ccccc1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide?
The InChIKey is SLFSLIVXDWGLJM-DUSLRRAJSA-N. The full InChI is InChI=1S/C20H31N3O4/c21-17(13-16-9-5-2-6-10-16)19(25)20(26)23-27-14-18(24)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19,25H,2,5-6,9-14,21H2,(H,22,24)(H,23,26)/t17-,19?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide has a molecular weight of 377.49 g/mol, XLogP of 1.05, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide is sourced from PubChem (CID 87998409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).