1-(3-aminophenyl)-3-(1-phenylpropyl)urea

C16H19N3O — CID 62304555

IUPAC1-(3-aminophenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-15(12-7-4-3-5-8-12)19-16(20)18-14-10-6-9-13(17)11-14/h3-11,15H,2,17H2,1H3,(H2,18,19,20)
InChIKeyFYKSYNSULLXZLF-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.54
Rot. Bonds4

About 1-(3-aminophenyl)-3-(1-phenylpropyl)urea

1-(3-aminophenyl)-3-(1-phenylpropyl)urea (PubChem CID 62304555) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(1-phenylpropyl)urea
PubChem CID62304555
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(3-aminophenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-15(12-7-4-3-5-8-12)19-16(20)18-14-10-6-9-13(17)11-14/h3-11,15H,2,17H2,1H3,(H2,18,19,20)
InChIKeyFYKSYNSULLXZLF-UHFFFAOYSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
ethyl 3-(1-phenylpropylcarbamoylamino)benzoate
CID 3804159
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
1-(3-aminophenyl)-3-(5-methylhexan-2-yl)urea
CID 63926516
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(1-phenylpropyl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(1-phenylpropyl)urea (CID 62304555) is 1-(3-aminophenyl)-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(1-phenylpropyl)urea is CCC(NC(=O)Nc1cccc(N)c1)c1ccccc1.
What is the InChIKey of 1-(3-aminophenyl)-3-(1-phenylpropyl)urea?
The InChIKey is FYKSYNSULLXZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-15(12-7-4-3-5-8-12)19-16(20)18-14-10-6-9-13(17)11-14/h3-11,15H,2,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-aminophenyl)-3-(1-phenylpropyl)urea?
1-(3-aminophenyl)-3-(1-phenylpropyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(1-phenylpropyl)urea is sourced from PubChem (CID 62304555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).