2-pentyl-N-prop-2-enylundecanamide

C19H37NO — CID 5180097

IUPAC2-pentyl-N-prop-2-enylundecanamide
SMILESC=CCNC(=O)C(CCCCC)CCCCCCCCC
InChIInChI=1S/C19H37NO/c1-4-7-9-10-11-12-14-16-18(15-13-8-5-2)19(21)20-17-6-3/h6,18H,3-5,7-17H2,1-2H3,(H,20,21)
InChIKeyWPRQHXCNUOUDLF-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.63
Rot. Bonds15

About 2-pentyl-N-prop-2-enylundecanamide

2-pentyl-N-prop-2-enylundecanamide (PubChem CID 5180097) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-pentyl-N-prop-2-enylundecanamide.

Molecular Properties

Compound Name2-pentyl-N-prop-2-enylundecanamide
PubChem CID5180097
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-pentyl-N-prop-2-enylundecanamide
SMILESC=CCNC(=O)C(CCCCC)CCCCCCCCC
InChIInChI=1S/C19H37NO/c1-4-7-9-10-11-12-14-16-18(15-13-8-5-2)19(21)20-17-6-3/h6,18H,3-5,7-17H2,1-2H3,(H,20,21)
InChIKeyWPRQHXCNUOUDLF-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octadecyl-2-octylicosanamide
CID 154636535
N-prop-2-enyloctanamide
CID 4071942
2-butyl-N-(3-methylbutyl)octanamide
CID 167250980
2-hexyl-N-hydroxyoctanamide
CID 139661264
2-prop-2-enyloctadecanoic acid
CID 54468209
N-[3-(dimethylamino)propyl]-2-octadecylicos-14-enamide
CID 123864204
3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride
CID 139291082
3-pentylnonan-2-one
CID 21290467
2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide
CID 173246682
2-pentyldec-9-enoic acid
CID 175975601
6-(2-butyloctanoylamino)hexanoic acid
CID 175445274
2-methyl-N-prop-2-enylbutanamide
CID 20811204

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-N-prop-2-enylundecanamide?
The IUPAC name of 2-pentyl-N-prop-2-enylundecanamide (CID 5180097) is 2-pentyl-N-prop-2-enylundecanamide.
What is the SMILES notation for 2-pentyl-N-prop-2-enylundecanamide?
The canonical SMILES for 2-pentyl-N-prop-2-enylundecanamide is C=CCNC(=O)C(CCCCC)CCCCCCCCC.
What is the InChIKey of 2-pentyl-N-prop-2-enylundecanamide?
The InChIKey is WPRQHXCNUOUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-7-9-10-11-12-14-16-18(15-13-8-5-2)19(21)20-17-6-3/h6,18H,3-5,7-17H2,1-2H3,(H,20,21).
What are the key properties of 2-pentyl-N-prop-2-enylundecanamide?
2-pentyl-N-prop-2-enylundecanamide has a molecular weight of 295.51 g/mol, XLogP of 5.63, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-N-prop-2-enylundecanamide is sourced from PubChem (CID 5180097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).