3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea

C18H28N2O2 — CID 113214648

IUPAC3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-4-12-20(13-5-2)17(21)19-14-18(10-11-18)15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3,(H,19,21)
InChIKeyFFXFZUVXYKQFJM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.56
Rot. Bonds8

About 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea

3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea (PubChem CID 113214648) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
PubChem CID113214648
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-4-12-20(13-5-2)17(21)19-14-18(10-11-18)15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3,(H,19,21)
InChIKeyFFXFZUVXYKQFJM-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea 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

1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896534
3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122009760
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
4-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214041
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea?
The IUPAC name of 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea (CID 113214648) is 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea is CCCN(CCC)C(=O)NCC1(c2ccc(OC)cc2)CC1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea?
The InChIKey is FFXFZUVXYKQFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-12-20(13-5-2)17(21)19-14-18(10-11-18)15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3,(H,19,21).
What are the key properties of 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea?
3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea has a molecular weight of 304.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea is sourced from PubChem (CID 113214648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).