1-ethyl-3-(4-propoxyphenyl)urea

C12H18N2O2 — CID 115881886

IUPAC1-ethyl-3-(4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NCC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-9-16-11-7-5-10(6-8-11)14-12(15)13-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeyYCLDVCCDAGLFCI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.62
Rot. Bonds5

About 1-ethyl-3-(4-propoxyphenyl)urea

1-ethyl-3-(4-propoxyphenyl)urea (PubChem CID 115881886) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethyl-3-(4-propoxyphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-propoxyphenyl)urea
PubChem CID115881886
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-ethyl-3-(4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NCC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-9-16-11-7-5-10(6-8-11)14-12(15)13-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeyYCLDVCCDAGLFCI-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-(4-propoxyphenyl)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

N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
CID 62328876
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-propoxyphenyl)urea?
The IUPAC name of 1-ethyl-3-(4-propoxyphenyl)urea (CID 115881886) is 1-ethyl-3-(4-propoxyphenyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-propoxyphenyl)urea?
The canonical SMILES for 1-ethyl-3-(4-propoxyphenyl)urea is CCCOc1ccc(NC(=O)NCC)cc1.
What is the InChIKey of 1-ethyl-3-(4-propoxyphenyl)urea?
The InChIKey is YCLDVCCDAGLFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9-16-11-7-5-10(6-8-11)14-12(15)13-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-(4-propoxyphenyl)urea?
1-ethyl-3-(4-propoxyphenyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propoxyphenyl)urea is sourced from PubChem (CID 115881886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).