(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide

C18H28N2O3 — CID 15516889

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)C(O)[C@H](N)CC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-23-15-9-7-14(8-10-15)12-20-18(22)17(21)16(19)11-13-5-3-2-4-6-13/h7-10,13,16-17,21H,2-6,11-12,19H2,1H3,(H,20,22)/t16-,17?/m1/s1
InChIKeyXPMMIFHZJBFNGN-TZHYSIJRSA-N
MW320.43 g/mol
LogP1.97
Rot. Bonds7

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 15516889) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID15516889
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)C(O)[C@H](N)CC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-23-15-9-7-14(8-10-15)12-20-18(22)17(21)16(19)11-13-5-3-2-4-6-13/h7-10,13,16-17,21H,2-6,11-12,19H2,1H3,(H,20,22)/t16-,17?/m1/s1
InChIKeyXPMMIFHZJBFNGN-TZHYSIJRSA-N
XLogP1.97
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]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

(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
CID 21199079
(2R)-2-[amino(cyclohexylmethoxy)methyl]-3-cyclohexyl-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 87823722
3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide
CID 10109240
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
CID 10133507
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
CID 21198823
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide (CID 15516889) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide is COc1ccc(CNC(=O)C(O)[C@H](N)CC2CCCCC2)cc1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is XPMMIFHZJBFNGN-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-23-15-9-7-14(8-10-15)12-20-18(22)17(21)16(19)11-13-5-3-2-4-6-13/h7-10,13,16-17,21H,2-6,11-12,19H2,1H3,(H,20,22)/t16-,17?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 320.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 15516889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).