N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

C35H40N2O2 — CID 164610907

IUPACN-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)c1ccc(CNC[C@H](O)C(Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H40N2O2/c1-35(2,3)30-21-19-27(20-22-30)24-36-25-32(38)31(23-26-13-7-4-8-14-26)37-34(39)33(28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)/t31?,32-/m0/s1
InChIKeyHIHITZUYLBWQEI-JYUUXGOASA-N
MW520.72 g/mol
LogP5.99
Rot. Bonds11

About N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (PubChem CID 164610907) has the molecular formula C35H40N2O2 and a molecular weight of 520.72 g/mol. Its IUPAC name is N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
PubChem CID164610907
Molecular FormulaC35H40N2O2
Molecular Weight520.72 g/mol
Exact Mass520.31
IUPAC NameN-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)c1ccc(CNC[C@H](O)C(Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H40N2O2/c1-35(2,3)30-21-19-27(20-22-30)24-36-25-32(38)31(23-26-13-7-4-8-14-26)37-34(39)33(28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)/t31?,32-/m0/s1
InChIKeyHIHITZUYLBWQEI-JYUUXGOASA-N
XLogP5.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (CID 164610907) is N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is CC(C)(C)c1ccc(CNC[C@H](O)C(Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The InChIKey is HIHITZUYLBWQEI-JYUUXGOASA-N. The full InChI is InChI=1S/C35H40N2O2/c1-35(2,3)30-21-19-27(20-22-30)24-36-25-32(38)31(23-26-13-7-4-8-14-26)37-34(39)33(28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)/t31?,32-/m0/s1.
What are the key properties of N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide has a molecular weight of 520.72 g/mol, XLogP of 5.99, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 164610907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).