N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide

C24H44N2O2 — CID 57146172

IUPACN-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCCCC(C)(C)N1CCCC1=O
InChIInChI=1S/C24H44N2O2/c1-4-22(27)25-20-16-14-12-10-8-6-5-7-9-11-13-15-19-24(2,3)26-21-17-18-23(26)28/h4H,1,5-21H2,2-3H3,(H,25,27)
InChIKeyKCYXFYZIRFHGPV-UHFFFAOYSA-N
MW392.63 g/mol
LogP5.76
Rot. Bonds17

About N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide

N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide (PubChem CID 57146172) has the molecular formula C24H44N2O2 and a molecular weight of 392.63 g/mol. Its IUPAC name is N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide.

Molecular Properties

Compound NameN-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide
PubChem CID57146172
Molecular FormulaC24H44N2O2
Molecular Weight392.63 g/mol
Exact Mass392.34
IUPAC NameN-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCCCC(C)(C)N1CCCC1=O
InChIInChI=1S/C24H44N2O2/c1-4-22(27)25-20-16-14-12-10-8-6-5-7-9-11-13-15-19-24(2,3)26-21-17-18-23(26)28/h4H,1,5-21H2,2-3H3,(H,25,27)
InChIKeyKCYXFYZIRFHGPV-UHFFFAOYSA-N
XLogP5.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 55.76
H-Bond Donors ≤ 51
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

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
N-heptadecylprop-2-enamide
CID 20727742
carbonic acid;N-hexylprop-2-enamide
CID 22445987
2,2-dimethyl-4-(prop-2-enoylamino)butanoic acid
CID 174997807
(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide
CID 135235066
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide
CID 145264560

Frequently Asked Questions

What is the IUPAC name of N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide?
The IUPAC name of N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide (CID 57146172) is N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide.
What is the SMILES notation for N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide?
The canonical SMILES for N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide is C=CC(=O)NCCCCCCCCCCCCCCC(C)(C)N1CCCC1=O.
What is the InChIKey of N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide?
The InChIKey is KCYXFYZIRFHGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O2/c1-4-22(27)25-20-16-14-12-10-8-6-5-7-9-11-13-15-19-24(2,3)26-21-17-18-23(26)28/h4H,1,5-21H2,2-3H3,(H,25,27).
What are the key properties of N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide?
N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide has a molecular weight of 392.63 g/mol, XLogP of 5.76, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[15-methyl-15-(2-oxopyrrolidin-1-yl)hexadecyl]prop-2-enamide is sourced from PubChem (CID 57146172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).