1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea

C18H22N2O2 — CID 46647393

IUPAC1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-14(15-9-5-4-6-10-15)13-19-18(21)20-16-11-7-8-12-17(16)22-2/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeyKHFGXOPSHZDVPY-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.01
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea

1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea (PubChem CID 46647393) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
PubChem CID46647393
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-14(15-9-5-4-6-10-15)13-19-18(21)20-16-11-7-8-12-17(16)22-2/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeyKHFGXOPSHZDVPY-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124
3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
CID 81066539
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea (CID 46647393) is 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea is CCC(CNC(=O)Nc1ccccc1OC)c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea?
The InChIKey is KHFGXOPSHZDVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-14(15-9-5-4-6-10-15)13-19-18(21)20-16-11-7-8-12-17(16)22-2/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea?
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea has a molecular weight of 298.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea is sourced from PubChem (CID 46647393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).