2-ethyl-N-undecylpentanamide

C18H37NO — CID 160695439

IUPAC2-ethyl-N-undecylpentanamide
SMILESCCCCCCCCCCCNC(=O)C(CC)CCC
InChIInChI=1S/C18H37NO/c1-4-7-8-9-10-11-12-13-14-16-19-18(20)17(6-3)15-5-2/h17H,4-16H2,1-3H3,(H,19,20)
InChIKeyAWPTUPASEQHIGH-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.46
Rot. Bonds14

About 2-ethyl-N-undecylpentanamide

2-ethyl-N-undecylpentanamide (PubChem CID 160695439) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-ethyl-N-undecylpentanamide.

Molecular Properties

Compound Name2-ethyl-N-undecylpentanamide
PubChem CID160695439
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-ethyl-N-undecylpentanamide
SMILESCCCCCCCCCCCNC(=O)C(CC)CCC
InChIInChI=1S/C18H37NO/c1-4-7-8-9-10-11-12-13-14-16-19-18(20)17(6-3)15-5-2/h17H,4-16H2,1-3H3,(H,19,20)
InChIKeyAWPTUPASEQHIGH-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-pentylhexanamide
CID 5123867
N-octadecyl-2-octylicosanamide
CID 154636535
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
7-(2-propylpentanoylamino)heptanoic acid
CID 82985548
(2S)-2-(2-methylpropyl)-4-(octylcarbamoyl)hexanoic acid
CID 58657978
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-methyl-N-nonyldecanamide
CID 141429494
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-ethyl-N-methyltetradecanamide
CID 161072731
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-undecylpentanamide?
The IUPAC name of 2-ethyl-N-undecylpentanamide (CID 160695439) is 2-ethyl-N-undecylpentanamide.
What is the SMILES notation for 2-ethyl-N-undecylpentanamide?
The canonical SMILES for 2-ethyl-N-undecylpentanamide is CCCCCCCCCCCNC(=O)C(CC)CCC.
What is the InChIKey of 2-ethyl-N-undecylpentanamide?
The InChIKey is AWPTUPASEQHIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-7-8-9-10-11-12-13-14-16-19-18(20)17(6-3)15-5-2/h17H,4-16H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-N-undecylpentanamide?
2-ethyl-N-undecylpentanamide has a molecular weight of 283.50 g/mol, XLogP of 5.46, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-undecylpentanamide is sourced from PubChem (CID 160695439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).