1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea

C20H25N3O2 — CID 52941937

IUPAC1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea
SMILESO=C(NCCCc1ccccc1)NC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H25N3O2/c24-19(21-15-7-13-17-9-3-1-4-10-17)23-20(25)22-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H3,21,22,23,24,25)
InChIKeySDAHPKPMYOSUBL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.26
Rot. Bonds8

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

1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea (PubChem CID 52941937) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea
PubChem CID52941937
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea
SMILESO=C(NCCCc1ccccc1)NC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H25N3O2/c24-19(21-15-7-13-17-9-3-1-4-10-17)23-20(25)22-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H3,21,22,23,24,25)
InChIKeySDAHPKPMYOSUBL-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
1-Benzyl-3-cyclohexylurea
CID 544877
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 309844
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
N-(tert-butyl)-N'-phenethylurea
CID 306674
CID 31899116
CID 31899116

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea?
The IUPAC name of 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea (CID 52941937) is 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea is O=C(NCCCc1ccccc1)NC(=O)NCCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea?
The InChIKey is SDAHPKPMYOSUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(21-15-7-13-17-9-3-1-4-10-17)23-20(25)22-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H3,21,22,23,24,25).
What are the key properties of 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea?
1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-(3-phenylpropylcarbamoyl)urea is sourced from PubChem (CID 52941937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).