1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea

C16H18N2O3 — CID 71450417

IUPAC1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1O
InChIInChI=1S/C16H18N2O3/c1-11(12-6-4-3-5-7-12)17-16(20)18-13-8-9-15(21-2)14(19)10-13/h3-11,19H,1-2H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyXNSOINIAFBSHFJ-NSHDSACASA-N
MW286.33 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea

1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 71450417) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea
PubChem CID71450417
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1O
InChIInChI=1S/C16H18N2O3/c1-11(12-6-4-3-5-7-12)17-16(20)18-13-8-9-15(21-2)14(19)10-13/h3-11,19H,1-2H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyXNSOINIAFBSHFJ-NSHDSACASA-N
XLogP3.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(P-Anisyl)-3-benzylurea
CID 2822852
1-(M-Anisyl)-3-benzylurea
CID 2822865
3-(M-Anisyl)-1,1-dibenzylurea
CID 3411091
1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 6465440
N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethoxyphenyl)urea
CID 972007
4-benzyl-N-(3,4-dimethoxyphenyl)piperidine-1-carbothioamide
CID 2212069
1-(4-Methoxyphenyl)-3-(1-phenylethyl)urea
CID 2837289
N-(4-Methoxyphenyl)-N'-(4-phenylbutyl)urea
CID 24818737
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-ethoxyphenyl)urea
CID 2215009
N-1,3-benzodioxol-5-yl-N'-(1-benzyl-4-piperidinyl)urea
CID 2211100
(E)-3-(4-tert-Butyl-phenyl)-N-(4-hydroxy-3-methoxy-phenyl)-acrylamide
CID 10172003
3-{4-[3-(3,4-Dimethoxy-phenyl)-ureido]-phenyl}-N-hydroxy-acrylamide
CID 11068279

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea (CID 71450417) is 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea is COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is XNSOINIAFBSHFJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(12-6-4-3-5-7-12)17-16(20)18-13-8-9-15(21-2)14(19)10-13/h3-11,19H,1-2H3,(H2,17,18,20)/t11-/m0/s1.
What are the key properties of 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 286.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 71450417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).