1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea

C18H22N2O2 — CID 51291119

IUPAC1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
SMILESCOc1ccccc1CNC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(15-8-4-3-5-9-15)12-19-18(21)20-13-16-10-6-7-11-17(16)22-2/h3-11,14H,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyITNXCOHDHWCXHN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.30
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea

1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea (PubChem CID 51291119) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
PubChem CID51291119
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
SMILESCOc1ccccc1CNC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(15-8-4-3-5-9-15)12-19-18(21)20-13-16-10-6-7-11-17(16)22-2/h3-11,14H,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyITNXCOHDHWCXHN-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111119483
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111115085
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51291088
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea (CID 51291119) is 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea is COc1ccccc1CNC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea?
The InChIKey is ITNXCOHDHWCXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(15-8-4-3-5-9-15)12-19-18(21)20-13-16-10-6-7-11-17(16)22-2/h3-11,14H,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea?
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea is sourced from PubChem (CID 51291119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).