2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide

C25H31N5O3 — CID 42826539

IUPAC2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1)CC(C)C
InChIInChI=1S/C25H31N5O3/c1-5-26-25(32)29(15-18(2)3)17-23(31)28-24-27-22(19-11-13-21(33-4)14-12-19)16-30(24)20-9-7-6-8-10-20/h6-14,16,18H,5,15,17H2,1-4H3,(H,26,32)(H,27,28,31)
InChIKeyYXDWNKODCPIMSP-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.17
Rot. Bonds9

About 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide

2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide (PubChem CID 42826539) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
PubChem CID42826539
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1)CC(C)C
InChIInChI=1S/C25H31N5O3/c1-5-26-25(32)29(15-18(2)3)17-23(31)28-24-27-22(19-11-13-21(33-4)14-12-19)16-30(24)20-9-7-6-8-10-20/h6-14,16,18H,5,15,17H2,1-4H3,(H,26,32)(H,27,28,31)
InChIKeyYXDWNKODCPIMSP-UHFFFAOYSA-N
XLogP4.17
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
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-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42829849
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828307
2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 42828098
N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828514
N-[2-[[4-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42825596
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
N-(1,4-diphenylimidazol-2-yl)-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42826885
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42828372
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-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 46144510
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566

Frequently Asked Questions

What is the IUPAC name of 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide (CID 42826539) is 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide is CCNC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1)CC(C)C.
What is the InChIKey of 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide?
The InChIKey is YXDWNKODCPIMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-5-26-25(32)29(15-18(2)3)17-23(31)28-24-27-22(19-11-13-21(33-4)14-12-19)16-30(24)20-9-7-6-8-10-20/h6-14,16,18H,5,15,17H2,1-4H3,(H,26,32)(H,27,28,31).
What are the key properties of 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide?
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide has a molecular weight of 449.56 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 42826539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).