1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea

C18H22N2O3 — CID 51944503

IUPAC1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-13(14-7-5-4-6-8-14)12-19-18(21)20-15-9-10-16(22-2)17(11-15)23-3/h4-11,13H,12H2,1-3H3,(H2,19,20,21)/t13-/m1/s1
InChIKeyHVINIDMEOGGTTR-CYBMUJFWSA-N
MW314.39 g/mol
LogP3.63
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea

1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea (PubChem CID 51944503) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
PubChem CID51944503
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-13(14-7-5-4-6-8-14)12-19-18(21)20-15-9-10-16(22-2)17(11-15)23-3/h4-11,13H,12H2,1-3H3,(H2,19,20,21)/t13-/m1/s1
InChIKeyHVINIDMEOGGTTR-CYBMUJFWSA-N
XLogP3.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]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-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
3-[(3,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167135
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide
CID 110609641
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
CID 20994903
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
CID 9445871
3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62669032
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea (CID 51944503) is 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea is COc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea?
The InChIKey is HVINIDMEOGGTTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(14-7-5-4-6-8-14)12-19-18(21)20-15-9-10-16(22-2)17(11-15)23-3/h4-11,13H,12H2,1-3H3,(H2,19,20,21)/t13-/m1/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea is sourced from PubChem (CID 51944503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).