1-benzyl-3-phenyl-1-propylurea

C17H20N2O — CID 78786424

IUPAC1-benzyl-3-phenyl-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,20)
InChIKeyCYSUDOCAXUEENR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.13
Rot. Bonds5

About 1-benzyl-3-phenyl-1-propylurea

1-benzyl-3-phenyl-1-propylurea (PubChem CID 78786424) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-1-propylurea.

Molecular Properties

Compound Name1-benzyl-3-phenyl-1-propylurea
PubChem CID78786424
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-benzyl-3-phenyl-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,20)
InChIKeyCYSUDOCAXUEENR-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
CID 134584176
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
(3-anilinophenyl)methyl-propylcarbamic acid
CID 67551661
3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
CID 6930575
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-1-propylurea?
The IUPAC name of 1-benzyl-3-phenyl-1-propylurea (CID 78786424) is 1-benzyl-3-phenyl-1-propylurea.
What is the SMILES notation for 1-benzyl-3-phenyl-1-propylurea?
The canonical SMILES for 1-benzyl-3-phenyl-1-propylurea is CCCN(Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenyl-1-propylurea?
The InChIKey is CYSUDOCAXUEENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,20).
What are the key properties of 1-benzyl-3-phenyl-1-propylurea?
1-benzyl-3-phenyl-1-propylurea has a molecular weight of 268.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-1-propylurea is sourced from PubChem (CID 78786424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).