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

C24H32N2O3 — CID 132704907

IUPACN-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-17-9-7-8-10-20(17)15-22(27)26(18(2)23(28)25-24(3,4)5)16-19-11-13-21(29-6)14-12-19/h7-14,18H,15-16H2,1-6H3,(H,25,28)
InChIKeyGRQMCHQTYKOXBY-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.88
Rot. Bonds7

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

N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide (PubChem CID 132704907) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
PubChem CID132704907
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-17-9-7-8-10-20(17)15-22(27)26(18(2)23(28)25-24(3,4)5)16-19-11-13-21(29-6)14-12-19/h7-14,18H,15-16H2,1-6H3,(H,25,28)
InChIKeyGRQMCHQTYKOXBY-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132702922
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132707152
2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132657554
N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132717320
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132985805
N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 133145749
N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132717324
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 125061295
N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132714680
N-tert-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132718159
N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132703419
(2R)-N-tert-butyl-2-[[2-(2-fluoro-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 125050852

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide (CID 132704907) is N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide is COc1ccc(CN(C(=O)Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
The InChIKey is GRQMCHQTYKOXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17-9-7-8-10-20(17)15-22(27)26(18(2)23(28)25-24(3,4)5)16-19-11-13-21(29-6)14-12-19/h7-14,18H,15-16H2,1-6H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide has a molecular weight of 396.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 132704907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).