1-(carbamoylamino)octan-3-ylurea

C10H22N4O2 — CID 154304190

IUPAC1-(carbamoylamino)octan-3-ylurea
SMILESCCCCCC(CCNC(N)=O)NC(N)=O
InChIInChI=1S/C10H22N4O2/c1-2-3-4-5-8(14-10(12)16)6-7-13-9(11)15/h8H,2-7H2,1H3,(H3,11,13,15)(H3,12,14,16)
InChIKeySIEQFSWNWYCANE-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.66
Rot. Bonds8

About 1-(carbamoylamino)octan-3-ylurea

1-(carbamoylamino)octan-3-ylurea (PubChem CID 154304190) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(carbamoylamino)octan-3-ylurea.

Molecular Properties

Compound Name1-(carbamoylamino)octan-3-ylurea
PubChem CID154304190
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-(carbamoylamino)octan-3-ylurea
SMILESCCCCCC(CCNC(N)=O)NC(N)=O
InChIInChI=1S/C10H22N4O2/c1-2-3-4-5-8(14-10(12)16)6-7-13-9(11)15/h8H,2-7H2,1H3,(H3,11,13,15)(H3,12,14,16)
InChIKeySIEQFSWNWYCANE-UHFFFAOYSA-N
XLogP0.66
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(carbamoylamino)octan-3-ylurea 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-(carbamoylamino)octan-3-ylurea?
The IUPAC name of 1-(carbamoylamino)octan-3-ylurea (CID 154304190) is 1-(carbamoylamino)octan-3-ylurea.
What is the SMILES notation for 1-(carbamoylamino)octan-3-ylurea?
The canonical SMILES for 1-(carbamoylamino)octan-3-ylurea is CCCCCC(CCNC(N)=O)NC(N)=O.
What is the InChIKey of 1-(carbamoylamino)octan-3-ylurea?
The InChIKey is SIEQFSWNWYCANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-2-3-4-5-8(14-10(12)16)6-7-13-9(11)15/h8H,2-7H2,1H3,(H3,11,13,15)(H3,12,14,16).
What are the key properties of 1-(carbamoylamino)octan-3-ylurea?
1-(carbamoylamino)octan-3-ylurea has a molecular weight of 230.31 g/mol, XLogP of 0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)octan-3-ylurea is sourced from PubChem (CID 154304190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).