N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide

C27H34N4O2 — CID 46144753

IUPACN-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide
SMILESCCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)CC(C)C
InChIInChI=1S/C27H34N4O2/c1-6-26(33)30(16-19(2)3)18-25(32)29-27-28-24(22-10-8-7-9-11-22)17-31(27)23-14-12-21(13-15-23)20(4)5/h7-15,17,19-20H,6,16,18H2,1-5H3,(H,28,29,32)
InChIKeyXQJGIYHXQKMCQU-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.50
Rot. Bonds9

About N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide

N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide (PubChem CID 46144753) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide
PubChem CID46144753
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide
SMILESCCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)CC(C)C
InChIInChI=1S/C27H34N4O2/c1-6-26(33)30(16-19(2)3)18-25(32)29-27-28-24(22-10-8-7-9-11-22)17-31(27)23-14-12-21(13-15-23)20(4)5/h7-15,17,19-20H,6,16,18H2,1-5H3,(H,28,29,32)
InChIKeyXQJGIYHXQKMCQU-UHFFFAOYSA-N
XLogP5.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

HC-030031
CID 1150897
Tcs 5861528
CID 2873523
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
4-cyano-N-(2-(1-cyclohexen-1-yl)-4-(1-((dimethylamino)acetyl)-4-piperidinyl)phenyl)-1H-imidazole-2-carboxamide
CID 11676971
8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 22224657
N-acetyl-N-(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)acetamide
CID 9557161
2-[N-methyl-4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192865
N-[4-[(2-methoxybenzimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 155557682
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 843189
2-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 16009114

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide?
The IUPAC name of N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide (CID 46144753) is N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide?
The canonical SMILES for N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide is CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide?
The InChIKey is XQJGIYHXQKMCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-6-26(33)30(16-19(2)3)18-25(32)29-27-28-24(22-10-8-7-9-11-22)17-31(27)23-14-12-21(13-15-23)20(4)5/h7-15,17,19-20H,6,16,18H2,1-5H3,(H,28,29,32).
What are the key properties of N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide?
N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide has a molecular weight of 446.60 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]propanamide is sourced from PubChem (CID 46144753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).