1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea

C18H22N2O3 — CID 78798433

IUPAC1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)Nc1ccccc1OC)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O3/c1-4-15(13-9-11-14(22-2)12-10-13)19-18(21)20-16-7-5-6-8-17(16)23-3/h5-12,15H,4H2,1-3H3,(H2,19,20,21)
InChIKeyYKEUUYGSMHTAAF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.98
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea

1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea (PubChem CID 78798433) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
PubChem CID78798433
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)Nc1ccccc1OC)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O3/c1-4-15(13-9-11-14(22-2)12-10-13)19-18(21)20-16-7-5-6-8-17(16)23-3/h5-12,15H,4H2,1-3H3,(H2,19,20,21)
InChIKeyYKEUUYGSMHTAAF-UHFFFAOYSA-N
XLogP3.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 4598212
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea (CID 78798433) is 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea is CCC(NC(=O)Nc1ccccc1OC)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The InChIKey is YKEUUYGSMHTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-15(13-9-11-14(22-2)12-10-13)19-18(21)20-16-7-5-6-8-17(16)23-3/h5-12,15H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea?
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 78798433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).