2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

C22H36N2O3 — CID 152754055

IUPAC2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)C(N)Cc1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C22H36N2O3/c1-2-22(15-25,16-26)24-21(27)20(23)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,17,20,25-26H,2-9,14-16,23H2,1H3,(H,24,27)
InChIKeyKCMQQHLGAZNQGJ-UHFFFAOYSA-N
MW376.54 g/mol
LogP2.32
Rot. Bonds10

About 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (PubChem CID 152754055) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
PubChem CID152754055
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)C(N)Cc1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C22H36N2O3/c1-2-22(15-25,16-26)24-21(27)20(23)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,17,20,25-26H,2-9,14-16,23H2,1H3,(H,24,27)
InChIKeyKCMQQHLGAZNQGJ-UHFFFAOYSA-N
XLogP2.32
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide 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

(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520328
(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
CID 79004352
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
methyl 4-(2-cyclohexylethyl)benzoate
CID 134304144
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
2-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide
CID 106328752
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831
(2S)-2-amino-N-(cyclohexylmethyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 61154345

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The IUPAC name of 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (CID 152754055) is 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.
What is the SMILES notation for 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The canonical SMILES for 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is CCC(CO)(CO)NC(=O)C(N)Cc1ccc(CCC2CCCCC2)cc1.
What is the InChIKey of 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The InChIKey is KCMQQHLGAZNQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-2-22(15-25,16-26)24-21(27)20(23)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,17,20,25-26H,2-9,14-16,23H2,1H3,(H,24,27).
What are the key properties of 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide has a molecular weight of 376.54 g/mol, XLogP of 2.32, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-cyclohexylethyl)phenyl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is sourced from PubChem (CID 152754055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).