(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide

C23H28N4O2 — CID 95101218

IUPAC(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CC[C@@H](N3CCN(Cc4ccccc4)C3=O)C2)cc1
InChIInChI=1S/C23H28N4O2/c1-2-18-8-10-20(11-9-18)24-22(28)25-13-12-21(17-25)27-15-14-26(23(27)29)16-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyDSEMNVHGRLNAOR-OAQYLSRUSA-N
MW392.50 g/mol
LogP3.79
Rot. Bonds5

About (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide

(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 95101218) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
PubChem CID95101218
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CC[C@@H](N3CCN(Cc4ccccc4)C3=O)C2)cc1
InChIInChI=1S/C23H28N4O2/c1-2-18-8-10-20(11-9-18)24-22(28)25-13-12-21(17-25)27-15-14-26(23(27)29)16-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyDSEMNVHGRLNAOR-OAQYLSRUSA-N
XLogP3.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098532
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
CID 53098595
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 53098629
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53098591
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098535
ethyl 4-[[4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carbonyl]amino]benzoate
CID 53094534
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
(8aR)-2-(2-methoxyethyl)-3-oxo-N-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368528
4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53098565
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide (CID 95101218) is (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide is CCc1ccc(NC(=O)N2CC[C@@H](N3CCN(Cc4ccccc4)C3=O)C2)cc1.
What is the InChIKey of (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is DSEMNVHGRLNAOR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-18-8-10-20(11-9-18)24-22(28)25-13-12-21(17-25)27-15-14-26(23(27)29)16-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3,(H,24,28)/t21-/m1/s1.
What are the key properties of (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95101218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).