3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea

C21H31N3O3 — CID 126451957

IUPAC3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)N(C)C[C@H]3CC(=O)N(C)C3)CCCC2)cc1
InChIInChI=1S/C21H31N3O3/c1-23-13-16(12-19(23)25)14-24(2)20(26)22-15-21(10-4-5-11-21)17-6-8-18(27-3)9-7-17/h6-9,16H,4-5,10-15H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeyNQMLMMRETBXLNK-INIZCTEOSA-N
MW373.50 g/mol
LogP2.63
Rot. Bonds6

About 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea

3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 126451957) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID126451957
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)N(C)C[C@H]3CC(=O)N(C)C3)CCCC2)cc1
InChIInChI=1S/C21H31N3O3/c1-23-13-16(12-19(23)25)14-24(2)20(26)22-15-21(10-4-5-11-21)17-6-8-18(27-3)9-7-17/h6-9,16H,4-5,10-15H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeyNQMLMMRETBXLNK-INIZCTEOSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]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

3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122009760
(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97123369
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522
3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382518
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 91840176
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47921780

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea (CID 126451957) is 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea is COc1ccc(C2(CNC(=O)N(C)C[C@H]3CC(=O)N(C)C3)CCCC2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is NQMLMMRETBXLNK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-23-13-16(12-19(23)25)14-24(2)20(26)22-15-21(10-4-5-11-21)17-6-8-18(27-3)9-7-17/h6-9,16H,4-5,10-15H2,1-3H3,(H,22,26)/t16-/m0/s1.
What are the key properties of 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea?
3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 373.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 126451957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).