1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea

C18H22N2O3 — CID 48559749

IUPAC1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
SMILESCOc1ccc(CCCNC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-22-16-11-10-14(13-17(16)23-2)7-6-12-19-18(21)20-15-8-4-3-5-9-15/h3-5,8-11,13H,6-7,12H2,1-2H3,(H2,19,20,21)
InChIKeyGDWBXIFPVDFHIY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.46
Rot. Bonds7

About 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea

1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea (PubChem CID 48559749) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
PubChem CID48559749
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
SMILESCOc1ccc(CCCNC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-22-16-11-10-14(13-17(16)23-2)7-6-12-19-18(21)20-15-8-4-3-5-9-15/h3-5,8-11,13H,6-7,12H2,1-2H3,(H2,19,20,21)
InChIKeyGDWBXIFPVDFHIY-UHFFFAOYSA-N
XLogP3.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 42704104
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
CID 129259360
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889
1-[3-(3,4-dimethoxyphenyl)propyl]-3-pyridin-4-ylthiourea
CID 100703961
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea (CID 48559749) is 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea is COc1ccc(CCCNC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea?
The InChIKey is GDWBXIFPVDFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-11-10-14(13-17(16)23-2)7-6-12-19-18(21)20-15-8-4-3-5-9-15/h3-5,8-11,13H,6-7,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea?
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea has a molecular weight of 314.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea is sourced from PubChem (CID 48559749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).