1-[(4-methoxyphenyl)methyl]-3-propylurea

C12H18N2O2 — CID 41355184

IUPAC1-[(4-methoxyphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-8-13-12(15)14-9-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyGJCJDPTVWUEKRK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-propylurea

1-[(4-methoxyphenyl)methyl]-3-propylurea (PubChem CID 41355184) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-propylurea
PubChem CID41355184
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-8-13-12(15)14-9-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyGJCJDPTVWUEKRK-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methoxyphenyl)methyl]-3-propylurea 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-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38276458
1-[(4-ethylsulfonylphenyl)methyl]-3-propylurea
CID 110775349

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-propylurea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-propylurea (CID 41355184) is 1-[(4-methoxyphenyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-propylurea is CCCNC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-propylurea?
The InChIKey is GJCJDPTVWUEKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-13-12(15)14-9-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-propylurea?
1-[(4-methoxyphenyl)methyl]-3-propylurea has a molecular weight of 222.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-propylurea is sourced from PubChem (CID 41355184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).