2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide

C28H33N3O2 — CID 42859196

IUPAC2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2cccc(N(Cc3ccccc3)C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C28H33N3O2/c1-21-10-8-14-24(16-21)19-29-26(32)18-23-13-9-15-25(17-23)31(27(33)30-28(2,3)4)20-22-11-6-5-7-12-22/h5-17H,18-20H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyQQHHRVVZRPZGSO-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.37
Rot. Bonds7

About 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide

2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 42859196) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID42859196
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2cccc(N(Cc3ccccc3)C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C28H33N3O2/c1-21-10-8-14-24(16-21)19-29-26(32)18-23-13-9-15-25(17-23)31(27(33)30-28(2,3)4)20-22-11-6-5-7-12-22/h5-17H,18-20H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyQQHHRVVZRPZGSO-UHFFFAOYSA-N
XLogP5.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide 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

2-[3-[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46056347
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
CID 46057076
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
N-benzyl-N-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957937
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]phenyl]-N-benzyl-3-phenylprop-2-enamide
CID 71957930
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
(E)-N-benzyl-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056577
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide (CID 42859196) is 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2cccc(N(Cc3ccccc3)C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is QQHHRVVZRPZGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-21-10-8-14-24(16-21)19-29-26(32)18-23-13-9-15-25(17-23)31(27(33)30-28(2,3)4)20-22-11-6-5-7-12-22/h5-17H,18-20H2,1-4H3,(H,29,32)(H,30,33).
What are the key properties of 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 443.59 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 42859196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).