19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide

C24H44N2O — CID 143956028

IUPAC19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide
SMILESC#CCNC(=O)CCCCCCCCC=CCCCCCCCCN(C)C
InChIInChI=1S/C24H44N2O/c1-4-22-25-24(27)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-23-26(2)3/h1,5-6H,7-23H2,2-3H3,(H,25,27)
InChIKeyGQHBKQXEWFKSML-UHFFFAOYSA-N
MW376.63 g/mol
LogP5.71
Rot. Bonds19

About 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide

19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide (PubChem CID 143956028) has the molecular formula C24H44N2O and a molecular weight of 376.63 g/mol. Its IUPAC name is 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide.

Molecular Properties

Compound Name19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide
PubChem CID143956028
Molecular FormulaC24H44N2O
Molecular Weight376.63 g/mol
Exact Mass376.35
IUPAC Name19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide
SMILESC#CCNC(=O)CCCCCCCCC=CCCCCCCCCN(C)C
InChIInChI=1S/C24H44N2O/c1-4-22-25-24(27)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-23-26(2)3/h1,5-6H,7-23H2,2-3H3,(H,25,27)
InChIKeyGQHBKQXEWFKSML-UHFFFAOYSA-N
XLogP5.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 55.71
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide?
The IUPAC name of 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide (CID 143956028) is 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide.
What is the SMILES notation for 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide?
The canonical SMILES for 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide is C#CCNC(=O)CCCCCCCCC=CCCCCCCCCN(C)C.
What is the InChIKey of 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide?
The InChIKey is GQHBKQXEWFKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O/c1-4-22-25-24(27)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-23-26(2)3/h1,5-6H,7-23H2,2-3H3,(H,25,27).
What are the key properties of 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide?
19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide has a molecular weight of 376.63 g/mol, XLogP of 5.71, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide is sourced from PubChem (CID 143956028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).