1-(2-oxoazepan-3-yl)-3-phenylurea

C13H17N3O2 — CID 2805572

IUPAC1-(2-oxoazepan-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCCNC1=O
InChIInChI=1S/C13H17N3O2/c17-12-11(8-4-5-9-14-12)16-13(18)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H2,15,16,18)
InChIKeyUAHKLTCJHGNNFB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.48
Rot. Bonds2

About 1-(2-oxoazepan-3-yl)-3-phenylurea

1-(2-oxoazepan-3-yl)-3-phenylurea (PubChem CID 2805572) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-oxoazepan-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-oxoazepan-3-yl)-3-phenylurea
PubChem CID2805572
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-oxoazepan-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCCNC1=O
InChIInChI=1S/C13H17N3O2/c17-12-11(8-4-5-9-14-12)16-13(18)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H2,15,16,18)
InChIKeyUAHKLTCJHGNNFB-UHFFFAOYSA-N
XLogP1.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-oxoazepan-3-yl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoazepan-3-yl)-3-phenylurea?
The IUPAC name of 1-(2-oxoazepan-3-yl)-3-phenylurea (CID 2805572) is 1-(2-oxoazepan-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-oxoazepan-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2-oxoazepan-3-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CCCCNC1=O.
What is the InChIKey of 1-(2-oxoazepan-3-yl)-3-phenylurea?
The InChIKey is UAHKLTCJHGNNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12-11(8-4-5-9-14-12)16-13(18)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H2,15,16,18).
What are the key properties of 1-(2-oxoazepan-3-yl)-3-phenylurea?
1-(2-oxoazepan-3-yl)-3-phenylurea has a molecular weight of 247.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoazepan-3-yl)-3-phenylurea is sourced from PubChem (CID 2805572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).