1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea

C20H29N3O3 — CID 25386143

IUPAC1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c(C)c1
InChIInChI=1S/C20H29N3O3/c1-14-11-17(26-2)9-10-18(14)22-20(25)21-15-12-19(24)23(13-15)16-7-5-3-4-6-8-16/h9-11,15-16H,3-8,12-13H2,1-2H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyWHXJWSWUQWWBFW-OAHLLOKOSA-N
MW359.47 g/mol
LogP3.45
Rot. Bonds4

About 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea

1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 25386143) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea
PubChem CID25386143
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c(C)c1
InChIInChI=1S/C20H29N3O3/c1-14-11-17(26-2)9-10-18(14)22-20(25)21-15-12-19(24)23(13-15)16-7-5-3-4-6-8-16/h9-11,15-16H,3-8,12-13H2,1-2H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyWHXJWSWUQWWBFW-OAHLLOKOSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea 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

1-(4-bromo-2-methylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544570
1-(4-bromo-2-methylphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564236
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244222
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 118777190
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,4-dimethoxyphenyl)urea
CID 7215925
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
CID 119049065
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea (CID 25386143) is 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c(C)c1.
What is the InChIKey of 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is WHXJWSWUQWWBFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-11-17(26-2)9-10-18(14)22-20(25)21-15-12-19(24)23(13-15)16-7-5-3-4-6-8-16/h9-11,15-16H,3-8,12-13H2,1-2H3,(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea?
1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 359.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 25386143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).