1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea

C17H20N2O2 — CID 6469359

IUPAC1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-3-16(13-7-5-4-6-8-13)19-17(20)18-14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,18,19,20)
InChIKeyKYNKZVYKBSVQKS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea

1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea (PubChem CID 6469359) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
PubChem CID6469359
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-3-16(13-7-5-4-6-8-13)19-17(20)18-14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,18,19,20)
InChIKeyKYNKZVYKBSVQKS-UHFFFAOYSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea (CID 6469359) is 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea is CCC(NC(=O)Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea?
The InChIKey is KYNKZVYKBSVQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-16(13-7-5-4-6-8-13)19-17(20)18-14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea?
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea is sourced from PubChem (CID 6469359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).