1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea

C17H20N2O3 — CID 108869391

IUPAC1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
SMILESCOc1cc(NC(=O)NC(C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-7-5-4-6-8-13)18-17(20)19-14-9-15(21-2)11-16(10-14)22-3/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyPIGSAVDBJRTVKD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.59
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea

1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea (PubChem CID 108869391) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
PubChem CID108869391
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
SMILESCOc1cc(NC(=O)NC(C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-7-5-4-6-8-13)18-17(20)19-14-9-15(21-2)11-16(10-14)22-3/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyPIGSAVDBJRTVKD-UHFFFAOYSA-N
XLogP3.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)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-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 5126450
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea (CID 108869391) is 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea is COc1cc(NC(=O)NC(C)c2ccccc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea?
The InChIKey is PIGSAVDBJRTVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(13-7-5-4-6-8-13)18-17(20)19-14-9-15(21-2)11-16(10-14)22-3/h4-12H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea?
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea has a molecular weight of 300.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 108869391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).