2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide

C24H32N2O3 — CID 132704751

IUPAC2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-17(2)15-25-24(28)19(4)26(16-21-8-6-18(3)7-9-21)23(27)14-20-10-12-22(29-5)13-11-20/h6-13,17,19H,14-16H2,1-5H3,(H,25,28)
InChIKeyWPEMHTGBZDYSQN-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.74
Rot. Bonds9

About 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide

2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 132704751) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID132704751
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-17(2)15-25-24(28)19(4)26(16-21-8-6-18(3)7-9-21)23(27)14-20-10-12-22(29-5)13-11-20/h6-13,17,19H,14-16H2,1-5H3,(H,25,28)
InChIKeyWPEMHTGBZDYSQN-UHFFFAOYSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132706907
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
2-[(4-methoxyphenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132714772
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233451
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100620942
(2S)-2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100717869
2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 132657450
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213398
4-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 132709884
(2R)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)butanamide
CID 100502820
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132655277

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide (CID 132704751) is 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide is COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C(C)C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is WPEMHTGBZDYSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)15-25-24(28)19(4)26(16-21-8-6-18(3)7-9-21)23(27)14-20-10-12-22(29-5)13-11-20/h6-13,17,19H,14-16H2,1-5H3,(H,25,28).
What are the key properties of 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide?
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 396.53 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 132704751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).