1-benzyl-3-(benzylcarbamoyl)urea

C16H17N3O2 — CID 12708393

IUPAC1-benzyl-3-(benzylcarbamoyl)urea
SMILESO=C(NCc1ccccc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H17N3O2/c20-15(17-11-13-7-3-1-4-8-13)19-16(21)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,17,18,19,20,21)
InChIKeySBFBFSFENDRVNA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.40
Rot. Bonds4

About 1-benzyl-3-(benzylcarbamoyl)urea

1-benzyl-3-(benzylcarbamoyl)urea (PubChem CID 12708393) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-benzyl-3-(benzylcarbamoyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(benzylcarbamoyl)urea
PubChem CID12708393
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-benzyl-3-(benzylcarbamoyl)urea
SMILESO=C(NCc1ccccc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H17N3O2/c20-15(17-11-13-7-3-1-4-8-13)19-16(21)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,17,18,19,20,21)
InChIKeySBFBFSFENDRVNA-UHFFFAOYSA-N
XLogP2.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(benzylcarbamoyl)urea?
The IUPAC name of 1-benzyl-3-(benzylcarbamoyl)urea (CID 12708393) is 1-benzyl-3-(benzylcarbamoyl)urea.
What is the SMILES notation for 1-benzyl-3-(benzylcarbamoyl)urea?
The canonical SMILES for 1-benzyl-3-(benzylcarbamoyl)urea is O=C(NCc1ccccc1)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(benzylcarbamoyl)urea?
The InChIKey is SBFBFSFENDRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15(17-11-13-7-3-1-4-8-13)19-16(21)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,17,18,19,20,21).
What are the key properties of 1-benzyl-3-(benzylcarbamoyl)urea?
1-benzyl-3-(benzylcarbamoyl)urea has a molecular weight of 283.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(benzylcarbamoyl)urea is sourced from PubChem (CID 12708393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).