N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide

C24H45NO2 — CID 57229802

IUPACN-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide
SMILESCC(=O)NCC(=O)/C=C\C(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H45NO2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-24(27)18-25-23(6)26/h16-17,19-22H,7-15,18H2,1-6H3,(H,25,26)/b17-16-
InChIKeyLSILGSZUBSTZSP-MSUUIHNZSA-N
MW379.63 g/mol
LogP6.32
Rot. Bonds16

About N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide

N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide (PubChem CID 57229802) has the molecular formula C24H45NO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide
PubChem CID57229802
Molecular FormulaC24H45NO2
Molecular Weight379.63 g/mol
Exact Mass379.35
IUPAC NameN-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide
SMILESCC(=O)NCC(=O)/C=C\C(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H45NO2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-24(27)18-25-23(6)26/h16-17,19-22H,7-15,18H2,1-6H3,(H,25,26)/b17-16-
InChIKeyLSILGSZUBSTZSP-MSUUIHNZSA-N
XLogP6.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide?
The IUPAC name of N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide (CID 57229802) is N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide.
What is the SMILES notation for N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide?
The canonical SMILES for N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide is CC(=O)NCC(=O)/C=C\C(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide?
The InChIKey is LSILGSZUBSTZSP-MSUUIHNZSA-N. The full InChI is InChI=1S/C24H45NO2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-24(27)18-25-23(6)26/h16-17,19-22H,7-15,18H2,1-6H3,(H,25,26)/b17-16-.
What are the key properties of N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide?
N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide has a molecular weight of 379.63 g/mol, XLogP of 6.32, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5,9,13,17-tetramethyl-2-oxooctadec-3-enyl]acetamide is sourced from PubChem (CID 57229802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).