2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

C30H32N4O4 — CID 23649431

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C30H32N4O4/c1-21(2)33(29(36)18-22-15-16-26(37-3)27(17-22)38-4)20-28(35)32-30-31-25(23-11-7-5-8-12-23)19-34(30)24-13-9-6-10-14-24/h5-17,19,21H,18,20H2,1-4H3,(H,31,32,35)
InChIKeyULUIIMZYZUCGLL-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.97
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 23649431) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID23649431
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C30H32N4O4/c1-21(2)33(29(36)18-22-15-16-26(37-3)27(17-22)38-4)20-28(35)32-30-31-25(23-11-7-5-8-12-23)19-34(30)24-13-9-6-10-14-24/h5-17,19,21H,18,20H2,1-4H3,(H,31,32,35)
InChIKeyULUIIMZYZUCGLL-UHFFFAOYSA-N
XLogP4.97
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 23649393
2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 23649413
methyl 2-(3,4-dimethoxyphenyl)-3-[[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]-3-oxopropanoate
CID 69412695
N-(1,4-diphenylimidazol-2-yl)-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42826885
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46145049
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-phenylacetamide
CID 42827163
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46145672
2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93151653
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42829849
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
CID 42825359

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 23649431) is 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is COc1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is ULUIIMZYZUCGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-21(2)33(29(36)18-22-15-16-26(37-3)27(17-22)38-4)20-28(35)32-30-31-25(23-11-7-5-8-12-23)19-34(30)24-13-9-6-10-14-24/h5-17,19,21H,18,20H2,1-4H3,(H,31,32,35).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 512.61 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 23649431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).