1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea

C13H20N2O2 — CID 47375969

IUPAC1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
SMILESCCOc1ccccc1CNC(=O)NC(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-12-8-6-5-7-11(12)9-14-13(16)15-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyIYOMIFXPNAGPOV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.29
Rot. Bonds5

About 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea

1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea (PubChem CID 47375969) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
PubChem CID47375969
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
SMILESCCOc1ccccc1CNC(=O)NC(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-12-8-6-5-7-11(12)9-14-13(16)15-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyIYOMIFXPNAGPOV-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea 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-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389858
1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774931
1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338222
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112998813
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea (CID 47375969) is 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea is CCOc1ccccc1CNC(=O)NC(C)C.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea?
The InChIKey is IYOMIFXPNAGPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-12-8-6-5-7-11(12)9-14-13(16)15-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea?
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea has a molecular weight of 236.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 47375969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).