1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

C17H24N2O2 — CID 113214574

IUPAC1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-15-8-6-13(7-9-15)17(10-11-17)12-18-16(20)19-14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H2,18,19,20)
InChIKeySCKUNACGTGIJNN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.97
Rot. Bonds5

About 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 113214574) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID113214574
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-15-8-6-13(7-9-15)17(10-11-17)12-18-16(20)19-14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H2,18,19,20)
InChIKeySCKUNACGTGIJNN-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]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

1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
1-cyclohexyl-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 110957179
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (CID 113214574) is 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is COc1ccc(C2(CNC(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is SCKUNACGTGIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-15-8-6-13(7-9-15)17(10-11-17)12-18-16(20)19-14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).