N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide

C20H25NO2 — CID 111477366

IUPACN-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NCC(O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(2)19(17-11-7-4-8-12-17)20(23)21-14-18(22)13-16-9-5-3-6-10-16/h3-12,15,18-19,22H,13-14H2,1-2H3,(H,21,23)
InChIKeyZCWIELPQASYNMK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.15
Rot. Bonds7

About N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide

N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide (PubChem CID 111477366) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide
PubChem CID111477366
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NCC(O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(2)19(17-11-7-4-8-12-17)20(23)21-14-18(22)13-16-9-5-3-6-10-16/h3-12,15,18-19,22H,13-14H2,1-2H3,(H,21,23)
InChIKeyZCWIELPQASYNMK-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide 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

N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide
CID 122660054
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(2S)-3-methyl-N-[5-[[[(2R)-3-methyl-2-phenylbutanoyl]amino]methoxy]pentoxymethyl]-2-phenylbutanamide
CID 122660055
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
1-(2-tert-butylsulfanylethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937097

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide (CID 111477366) is N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide is CC(C)C(C(=O)NCC(O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide?
The InChIKey is ZCWIELPQASYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)19(17-11-7-4-8-12-17)20(23)21-14-18(22)13-16-9-5-3-6-10-16/h3-12,15,18-19,22H,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide?
N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 111477366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).