N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide

C35H38N2O3 — CID 19874995

IUPACN-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38N2O3/c1-24(2)28-20-14-21-29(25(3)4)33(28)36-32(38)23-37(35(39)30-19-12-13-22-31(30)40-5)34(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-22,24-25,34H,23H2,1-5H3,(H,36,38)
InChIKeyFFIUNKQHIXEEDQ-UHFFFAOYSA-N
MW534.70 g/mol
LogP7.81
Rot. Bonds10

About N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide

N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 19874995) has the molecular formula C35H38N2O3 and a molecular weight of 534.70 g/mol. Its IUPAC name is N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide
PubChem CID19874995
Molecular FormulaC35H38N2O3
Molecular Weight534.70 g/mol
Exact Mass534.29
IUPAC NameN-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38N2O3/c1-24(2)28-20-14-21-29(25(3)4)33(28)36-32(38)23-37(35(39)30-19-12-13-22-31(30)40-5)34(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-22,24-25,34H,23H2,1-5H3,(H,36,38)
InChIKeyFFIUNKQHIXEEDQ-UHFFFAOYSA-N
XLogP7.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide 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-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295
2-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997388
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
2-[benzhydryl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8730199
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
methyl 2-[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956307
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955809

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide (CID 19874995) is N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is FFIUNKQHIXEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O3/c1-24(2)28-20-14-21-29(25(3)4)33(28)36-32(38)23-37(35(39)30-19-12-13-22-31(30)40-5)34(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-22,24-25,34H,23H2,1-5H3,(H,36,38).
What are the key properties of N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide?
N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 534.70 g/mol, XLogP of 7.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 19874995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).