3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide

C29H32N2O3 — CID 55835228

IUPAC3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)N(Cc2ccc(C)cc2)C2CCc3ccccc32)NC(C)=O)cc1
InChIInChI=1S/C29H32N2O3/c1-20-8-10-22(11-9-20)19-31(28-17-14-23-6-4-5-7-26(23)28)29(33)18-27(30-21(2)32)24-12-15-25(34-3)16-13-24/h4-13,15-16,27-28H,14,17-19H2,1-3H3,(H,30,32)
InChIKeyIAPYLSFDWSHUNB-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.29
Rot. Bonds8

About 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide

3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 55835228) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID55835228
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)N(Cc2ccc(C)cc2)C2CCc3ccccc32)NC(C)=O)cc1
InChIInChI=1S/C29H32N2O3/c1-20-8-10-22(11-9-20)19-31(28-17-14-23-6-4-5-7-26(23)28)29(33)18-27(30-21(2)32)24-12-15-25(34-3)16-13-24/h4-13,15-16,27-28H,14,17-19H2,1-3H3,(H,30,32)
InChIKeyIAPYLSFDWSHUNB-UHFFFAOYSA-N
XLogP5.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide 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

3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 55387919
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
CID 10167074
3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 134012020
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 34470758
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55991521
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 134043050
3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
CID 43039918
(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide
CID 32758241
N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
CID 51956415

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide (CID 55835228) is 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide is COc1ccc(C(CC(=O)N(Cc2ccc(C)cc2)C2CCc3ccccc32)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is IAPYLSFDWSHUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-20-8-10-22(11-9-20)19-31(28-17-14-23-6-4-5-7-26(23)28)29(33)18-27(30-21(2)32)24-12-15-25(34-3)16-13-24/h4-13,15-16,27-28H,14,17-19H2,1-3H3,(H,30,32).
What are the key properties of 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 456.59 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 55835228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).