N,N-di(propan-2-yl)octadec-9-enamide

C24H47NO — CID 559343

IUPACN,N-di(propan-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H47NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25(22(2)3)23(4)5/h13-14,22-23H,6-12,15-21H2,1-5H3
InChIKeyAVGXKBIYKALKGW-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.67
Rot. Bonds17

About N,N-di(propan-2-yl)octadec-9-enamide

N,N-di(propan-2-yl)octadec-9-enamide (PubChem CID 559343) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is N,N-di(propan-2-yl)octadec-9-enamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)octadec-9-enamide
PubChem CID559343
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC NameN,N-di(propan-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H47NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25(22(2)3)23(4)5/h13-14,22-23H,6-12,15-21H2,1-5H3
InChIKeyAVGXKBIYKALKGW-UHFFFAOYSA-N
XLogP7.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-di(propan-2-yl)octadec-9-enamide?
The IUPAC name of N,N-di(propan-2-yl)octadec-9-enamide (CID 559343) is N,N-di(propan-2-yl)octadec-9-enamide.
What is the SMILES notation for N,N-di(propan-2-yl)octadec-9-enamide?
The canonical SMILES for N,N-di(propan-2-yl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)octadec-9-enamide?
The InChIKey is AVGXKBIYKALKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25(22(2)3)23(4)5/h13-14,22-23H,6-12,15-21H2,1-5H3.
What are the key properties of N,N-di(propan-2-yl)octadec-9-enamide?
N,N-di(propan-2-yl)octadec-9-enamide has a molecular weight of 365.65 g/mol, XLogP of 7.67, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)octadec-9-enamide is sourced from PubChem (CID 559343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).