(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide

C23H46N2O — CID 6436063

IUPAC(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-
InChIKeyUCWYGNTYSWIDSW-QXMHVHEDSA-N
MW366.63 g/mol
LogP6.09
Rot. Bonds19

About (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide

(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide (PubChem CID 6436063) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide
PubChem CID6436063
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC Name(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-
InChIKeyUCWYGNTYSWIDSW-QXMHVHEDSA-N
XLogP6.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide (CID 6436063) is (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C.
What is the InChIKey of (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide?
The InChIKey is UCWYGNTYSWIDSW-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-.
What are the key properties of (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide?
(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide has a molecular weight of 366.63 g/mol, XLogP of 6.09, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide is sourced from PubChem (CID 6436063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).