4-[(carbamoylamino)methyl]-2-pentylnonanamide

C16H33N3O2 — CID 20609423

IUPAC4-[(carbamoylamino)methyl]-2-pentylnonanamide
SMILESCCCCCC(CNC(N)=O)CC(CCCCC)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-3-5-7-9-13(12-19-16(18)21)11-14(15(17)20)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,20)(H3,18,19,21)
InChIKeyOIHQDPAFMALNSQ-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.92
Rot. Bonds13

About 4-[(carbamoylamino)methyl]-2-pentylnonanamide

4-[(carbamoylamino)methyl]-2-pentylnonanamide (PubChem CID 20609423) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-2-pentylnonanamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-2-pentylnonanamide
PubChem CID20609423
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name4-[(carbamoylamino)methyl]-2-pentylnonanamide
SMILESCCCCCC(CNC(N)=O)CC(CCCCC)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-3-5-7-9-13(12-19-16(18)21)11-14(15(17)20)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,20)(H3,18,19,21)
InChIKeyOIHQDPAFMALNSQ-UHFFFAOYSA-N
XLogP2.92
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-2-pentylnonanamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-2-pentylnonanamide (CID 20609423) is 4-[(carbamoylamino)methyl]-2-pentylnonanamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-2-pentylnonanamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-2-pentylnonanamide is CCCCCC(CNC(N)=O)CC(CCCCC)C(N)=O.
What is the InChIKey of 4-[(carbamoylamino)methyl]-2-pentylnonanamide?
The InChIKey is OIHQDPAFMALNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-3-5-7-9-13(12-19-16(18)21)11-14(15(17)20)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,20)(H3,18,19,21).
What are the key properties of 4-[(carbamoylamino)methyl]-2-pentylnonanamide?
4-[(carbamoylamino)methyl]-2-pentylnonanamide has a molecular weight of 299.46 g/mol, XLogP of 2.92, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-2-pentylnonanamide is sourced from PubChem (CID 20609423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).