1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea

C17H20N2O3 — CID 40636304

IUPAC1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-7-5-4-6-8-13)18-17(20)19-15-11-14(21-2)9-10-16(15)22-3/h4-12H,1-3H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyLOVBVOVYUWJATN-GFCCVEGCSA-N
MW300.36 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea

1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea (PubChem CID 40636304) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
PubChem CID40636304
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-7-5-4-6-8-13)18-17(20)19-15-11-14(21-2)9-10-16(15)22-3/h4-12H,1-3H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyLOVBVOVYUWJATN-GFCCVEGCSA-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

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40635753
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
CID 41098079
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181766
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea (CID 40636304) is 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea is COc1ccc(OC)c(NC(=O)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea?
The InChIKey is LOVBVOVYUWJATN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(13-7-5-4-6-8-13)18-17(20)19-15-11-14(21-2)9-10-16(15)22-3/h4-12H,1-3H3,(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea?
1-(2,5-dimethoxyphenyl)-3-[(1R)-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-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 40636304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).