1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea

C18H22N2O2 — CID 86992683

IUPAC1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
SMILESCOc1cccc(CCNC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-14(16-8-4-3-5-9-16)20-18(21)19-12-11-15-7-6-10-17(13-15)22-2/h3-10,13-14H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyGCEGGGGEYJCXCP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea

1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea (PubChem CID 86992683) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
PubChem CID86992683
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
SMILESCOc1cccc(CCNC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-14(16-8-4-3-5-9-16)20-18(21)19-12-11-15-7-6-10-17(13-15)22-2/h3-10,13-14H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyGCEGGGGEYJCXCP-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

2-[2-(3-methoxyphenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 108900910
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 103996278
(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 107843103
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea (CID 86992683) is 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea is COc1cccc(CCNC(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea?
The InChIKey is GCEGGGGEYJCXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(16-8-4-3-5-9-16)20-18(21)19-12-11-15-7-6-10-17(13-15)22-2/h3-10,13-14H,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea?
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)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-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 86992683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).