15-(prop-2-enoylamino)pentadecanoic acid

C18H33NO3 — CID 71528159

IUPAC15-(prop-2-enoylamino)pentadecanoic acid
SMILESC=CC(=O)NCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H33NO3/c1-2-17(20)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h2H,1,3-16H2,(H,19,20)(H,21,22)
InChIKeyKCEQRQSMJSIPMW-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.44
Rot. Bonds16

About 15-(prop-2-enoylamino)pentadecanoic acid

15-(prop-2-enoylamino)pentadecanoic acid (PubChem CID 71528159) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 15-(prop-2-enoylamino)pentadecanoic acid.

Molecular Properties

Compound Name15-(prop-2-enoylamino)pentadecanoic acid
PubChem CID71528159
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name15-(prop-2-enoylamino)pentadecanoic acid
SMILESC=CC(=O)NCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H33NO3/c1-2-17(20)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h2H,1,3-16H2,(H,19,20)(H,21,22)
InChIKeyKCEQRQSMJSIPMW-UHFFFAOYSA-N
XLogP4.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 131887558
CID 131887558
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
3-carboxypropyl-dimethyl-[6-(prop-2-enoylamino)hexyl]azanium
CID 118143398
2-carboxyethyl-dimethyl-[5-(prop-2-enoylamino)pentyl]azanium
CID 172678447
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
carbonic acid;N-hexylprop-2-enamide
CID 22445987
19-[[(Z)-3-carboxyprop-2-enoyl]amino]nonadecanoic acid
CID 88731152
7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
CID 10776610
4-carboxybutyl-dimethyl-[2-(prop-2-enoylamino)ethyl]azanium
CID 172711570
N-heptadecylprop-2-enamide
CID 20727742

Frequently Asked Questions

What is the IUPAC name of 15-(prop-2-enoylamino)pentadecanoic acid?
The IUPAC name of 15-(prop-2-enoylamino)pentadecanoic acid (CID 71528159) is 15-(prop-2-enoylamino)pentadecanoic acid.
What is the SMILES notation for 15-(prop-2-enoylamino)pentadecanoic acid?
The canonical SMILES for 15-(prop-2-enoylamino)pentadecanoic acid is C=CC(=O)NCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-(prop-2-enoylamino)pentadecanoic acid?
The InChIKey is KCEQRQSMJSIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-2-17(20)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h2H,1,3-16H2,(H,19,20)(H,21,22).
What are the key properties of 15-(prop-2-enoylamino)pentadecanoic acid?
15-(prop-2-enoylamino)pentadecanoic acid has a molecular weight of 311.47 g/mol, XLogP of 4.44, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(prop-2-enoylamino)pentadecanoic acid is sourced from PubChem (CID 71528159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).