N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide

C28H32N2O3 — CID 43820761

IUPACN-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCC(C)(C(=O)Nc1ccc(OC)cc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C28H32N2O3/c1-5-28(3,27(32)29-24-15-17-25(33-4)18-16-24)30(20-23-13-11-21(2)12-14-23)26(31)19-22-9-7-6-8-10-22/h6-18H,5,19-20H2,1-4H3,(H,29,32)
InChIKeyYSWDKUBDFSFRHY-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.38
Rot. Bonds9

About N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide

N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide (PubChem CID 43820761) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
PubChem CID43820761
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCC(C)(C(=O)Nc1ccc(OC)cc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C28H32N2O3/c1-5-28(3,27(32)29-24-15-17-25(33-4)18-16-24)30(20-23-13-11-21(2)12-14-23)26(31)19-22-9-7-6-8-10-22/h6-18H,5,19-20H2,1-4H3,(H,29,32)
InChIKeyYSWDKUBDFSFRHY-UHFFFAOYSA-N
XLogP5.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide 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-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-(2-phenylacetyl)amino]-2-methylbutanamide
CID 43821326
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-methylbutanamide
CID 43819493
N-tert-butyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147683
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-methylbutanamide
CID 43819463
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-methylbutanamide
CID 43819725
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methoxyphenyl)methyl]amino]-2-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 43822060
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide (CID 43820761) is N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide is CCC(C)(C(=O)Nc1ccc(OC)cc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
The InChIKey is YSWDKUBDFSFRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-5-28(3,27(32)29-24-15-17-25(33-4)18-16-24)30(20-23-13-11-21(2)12-14-23)26(31)19-22-9-7-6-8-10-22/h6-18H,5,19-20H2,1-4H3,(H,29,32).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide has a molecular weight of 444.58 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 43820761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).