2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide

C25H30N4O3 — CID 42828098

IUPAC2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC(C)C)C(C)=O)n2)cc1
InChIInChI=1S/C25H30N4O3/c1-17(2)14-28(19(4)30)16-24(31)27-25-26-23(20-8-12-22(32-5)13-9-20)15-29(25)21-10-6-18(3)7-11-21/h6-13,15,17H,14,16H2,1-5H3,(H,26,27,31)
InChIKeySTMMASGWJDXVHP-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.30
Rot. Bonds8

About 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide

2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide (PubChem CID 42828098) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
PubChem CID42828098
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC(C)C)C(C)=O)n2)cc1
InChIInChI=1S/C25H30N4O3/c1-17(2)14-28(19(4)30)16-24(31)27-25-26-23(20-8-12-22(32-5)13-9-20)15-29(25)21-10-6-18(3)7-11-21/h6-13,15,17H,14,16H2,1-5H3,(H,26,27,31)
InChIKeySTMMASGWJDXVHP-UHFFFAOYSA-N
XLogP4.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42828372
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 46146411
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46146480
N-[2-[[4-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42825596
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
N-[2-[[4-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46144153
N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 46144510
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
CID 42829783
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 46146488
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 46145519

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide (CID 42828098) is 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC(C)C)C(C)=O)n2)cc1.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
The InChIKey is STMMASGWJDXVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)14-28(19(4)30)16-24(31)27-25-26-23(20-8-12-22(32-5)13-9-20)15-29(25)21-10-6-18(3)7-11-21/h6-13,15,17H,14,16H2,1-5H3,(H,26,27,31).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 42828098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).