N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide

C30H33N3O3 — CID 4258893

IUPACN-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCCCCN(CC(=O)N1CC(=O)N(c2cccc(C)c2)C1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33N3O3/c1-3-4-18-31(30(36)29(24-13-7-5-8-14-24)25-15-9-6-10-16-25)20-27(34)32-21-28(35)33(22-32)26-17-11-12-23(2)19-26/h5-17,19,29H,3-4,18,20-22H2,1-2H3
InChIKeyWNFXJDZNJZQCAW-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.59
Rot. Bonds9

About N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide

N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 4258893) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID4258893
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCCCCN(CC(=O)N1CC(=O)N(c2cccc(C)c2)C1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33N3O3/c1-3-4-18-31(30(36)29(24-13-7-5-8-14-24)25-15-9-6-10-16-25)20-27(34)32-21-28(35)33(22-32)26-17-11-12-23(2)19-26/h5-17,19,29H,3-4,18,20-22H2,1-2H3
InChIKeyWNFXJDZNJZQCAW-UHFFFAOYSA-N
XLogP4.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea
CID 3949694
N-(2-methoxyethyl)-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4222132
N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 3654282
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 4126436
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide
CID 42778597
4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4317229
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-2-methylbenzamide
CID 4033493
N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 4612458
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenylacetamide
CID 3442651
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-2,2-dimethylpropanamide
CID 4115941
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide (CID 4258893) is N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide is CCCCN(CC(=O)N1CC(=O)N(c2cccc(C)c2)C1)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is WNFXJDZNJZQCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-3-4-18-31(30(36)29(24-13-7-5-8-14-24)25-15-9-6-10-16-25)20-27(34)32-21-28(35)33(22-32)26-17-11-12-23(2)19-26/h5-17,19,29H,3-4,18,20-22H2,1-2H3.
What are the key properties of N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide?
N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 483.61 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4258893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).