1-benzyl-3-(3-propanoylphenyl)urea

C17H18N2O2 — CID 141242249

IUPAC1-benzyl-3-(3-propanoylphenyl)urea
SMILESCCC(=O)c1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-2-16(20)14-9-6-10-15(11-14)19-17(21)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H2,18,19,21)
InChIKeyCKQRMFUHMPUCST-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.60
Rot. Bonds5

About 1-benzyl-3-(3-propanoylphenyl)urea

1-benzyl-3-(3-propanoylphenyl)urea (PubChem CID 141242249) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-benzyl-3-(3-propanoylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-propanoylphenyl)urea
PubChem CID141242249
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-benzyl-3-(3-propanoylphenyl)urea
SMILESCCC(=O)c1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-2-16(20)14-9-6-10-15(11-14)19-17(21)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H2,18,19,21)
InChIKeyCKQRMFUHMPUCST-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide
CID 20667039
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
1-[3-(3-aminopropyl)phenyl]-3-benzylurea
CID 107654561
3-[3-[[[3-(benzylcarbamoylamino)benzoyl]amino]methyl]phenyl]-3-phenylpropanoic acid
CID 19076827

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-propanoylphenyl)urea?
The IUPAC name of 1-benzyl-3-(3-propanoylphenyl)urea (CID 141242249) is 1-benzyl-3-(3-propanoylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-propanoylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(3-propanoylphenyl)urea is CCC(=O)c1cccc(NC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-(3-propanoylphenyl)urea?
The InChIKey is CKQRMFUHMPUCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-16(20)14-9-6-10-15(11-14)19-17(21)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H2,18,19,21).
What are the key properties of 1-benzyl-3-(3-propanoylphenyl)urea?
1-benzyl-3-(3-propanoylphenyl)urea has a molecular weight of 282.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-propanoylphenyl)urea is sourced from PubChem (CID 141242249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).