1-benzamido-3-(cyclobutylmethyl)urea

C13H17N3O2 — CID 47254058

IUPAC1-benzamido-3-(cyclobutylmethyl)urea
SMILESO=C(NCC1CCC1)NNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O2/c17-12(11-7-2-1-3-8-11)15-16-13(18)14-9-10-5-4-6-10/h1-3,7-8,10H,4-6,9H2,(H,15,17)(H2,14,16,18)
InChIKeyIVTNGQAEXUIFMB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds3

About 1-benzamido-3-(cyclobutylmethyl)urea

1-benzamido-3-(cyclobutylmethyl)urea (PubChem CID 47254058) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-benzamido-3-(cyclobutylmethyl)urea.

Molecular Properties

Compound Name1-benzamido-3-(cyclobutylmethyl)urea
PubChem CID47254058
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-benzamido-3-(cyclobutylmethyl)urea
SMILESO=C(NCC1CCC1)NNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O2/c17-12(11-7-2-1-3-8-11)15-16-13(18)14-9-10-5-4-6-10/h1-3,7-8,10H,4-6,9H2,(H,15,17)(H2,14,16,18)
InChIKeyIVTNGQAEXUIFMB-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(cyclobutylmethyl)urea?
The IUPAC name of 1-benzamido-3-(cyclobutylmethyl)urea (CID 47254058) is 1-benzamido-3-(cyclobutylmethyl)urea.
What is the SMILES notation for 1-benzamido-3-(cyclobutylmethyl)urea?
The canonical SMILES for 1-benzamido-3-(cyclobutylmethyl)urea is O=C(NCC1CCC1)NNC(=O)c1ccccc1.
What is the InChIKey of 1-benzamido-3-(cyclobutylmethyl)urea?
The InChIKey is IVTNGQAEXUIFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12(11-7-2-1-3-8-11)15-16-13(18)14-9-10-5-4-6-10/h1-3,7-8,10H,4-6,9H2,(H,15,17)(H2,14,16,18).
What are the key properties of 1-benzamido-3-(cyclobutylmethyl)urea?
1-benzamido-3-(cyclobutylmethyl)urea has a molecular weight of 247.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(cyclobutylmethyl)urea is sourced from PubChem (CID 47254058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).