1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea

C10H19N3O2 — CID 2805573

IUPAC1-(2-oxoazepan-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCCCNC1=O
InChIInChI=1S/C10H19N3O2/c1-7(2)12-10(15)13-8-5-3-4-6-11-9(8)14/h7-8H,3-6H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKeyYTXABQBUMCXSCH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.40
Rot. Bonds2

About 1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea

1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea (PubChem CID 2805573) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2-oxoazepan-3-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea
PubChem CID2805573
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(2-oxoazepan-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCCCNC1=O
InChIInChI=1S/C10H19N3O2/c1-7(2)12-10(15)13-8-5-3-4-6-11-9(8)14/h7-8H,3-6H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKeyYTXABQBUMCXSCH-UHFFFAOYSA-N
XLogP0.40
TPSA70.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity241

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea (CID 2805573) is 1-(2-oxoazepan-3-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CCCCNC1=O.
What is the InChIKey of 1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea?
The InChIKey is YTXABQBUMCXSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)12-10(15)13-8-5-3-4-6-11-9(8)14/h7-8H,3-6H2,1-2H3,(H,11,14)(H2,12,13,15).
What are the key properties of 1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea?
1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea has a molecular weight of 213.28 g/mol, XLogP of 0.40, 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-propan-2-ylurea is sourced from PubChem (CID 2805573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).