1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea

C18H22N2O2 — CID 3395267

IUPAC1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(OC)cc1C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-4-16(14-8-6-5-7-9-14)19-18(21)20-17-11-10-15(22-3)12-13(17)2/h5-12,16H,4H2,1-3H3,(H2,19,20,21)
InChIKeyQNWCGNCDELERND-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea

1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea (PubChem CID 3395267) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
PubChem CID3395267
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(OC)cc1C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-4-16(14-8-6-5-7-9-14)19-18(21)20-17-11-10-15(22-3)12-13(17)2/h5-12,16H,4H2,1-3H3,(H2,19,20,21)
InChIKeyQNWCGNCDELERND-UHFFFAOYSA-N
XLogP4.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
CID 17181991

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea (CID 3395267) is 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea is CCC(NC(=O)Nc1ccc(OC)cc1C)c1ccccc1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea?
The InChIKey is QNWCGNCDELERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-16(14-8-6-5-7-9-14)19-18(21)20-17-11-10-15(22-3)12-13(17)2/h5-12,16H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea?
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea has a molecular weight of 298.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea is sourced from PubChem (CID 3395267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).