N-(6-methylheptyl)-N-octylprop-2-enamide

C19H37NO — CID 57264060

IUPACN-(6-methylheptyl)-N-octylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCCC)CCCCCC(C)C
InChIInChI=1S/C19H37NO/c1-5-7-8-9-10-13-16-20(19(21)6-2)17-14-11-12-15-18(3)4/h6,18H,2,5,7-17H2,1,3-4H3
InChIKeyPJKCIWJBPKSIAV-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.58
Rot. Bonds14

About N-(6-methylheptyl)-N-octylprop-2-enamide

N-(6-methylheptyl)-N-octylprop-2-enamide (PubChem CID 57264060) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-(6-methylheptyl)-N-octylprop-2-enamide.

Molecular Properties

Compound NameN-(6-methylheptyl)-N-octylprop-2-enamide
PubChem CID57264060
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-(6-methylheptyl)-N-octylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCCC)CCCCCC(C)C
InChIInChI=1S/C19H37NO/c1-5-7-8-9-10-13-16-20(19(21)6-2)17-14-11-12-15-18(3)4/h6,18H,2,5,7-17H2,1,3-4H3
InChIKeyPJKCIWJBPKSIAV-UHFFFAOYSA-N
XLogP5.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptyl)-N-octylprop-2-enamide?
The IUPAC name of N-(6-methylheptyl)-N-octylprop-2-enamide (CID 57264060) is N-(6-methylheptyl)-N-octylprop-2-enamide.
What is the SMILES notation for N-(6-methylheptyl)-N-octylprop-2-enamide?
The canonical SMILES for N-(6-methylheptyl)-N-octylprop-2-enamide is C=CC(=O)N(CCCCCCCC)CCCCCC(C)C.
What is the InChIKey of N-(6-methylheptyl)-N-octylprop-2-enamide?
The InChIKey is PJKCIWJBPKSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-7-8-9-10-13-16-20(19(21)6-2)17-14-11-12-15-18(3)4/h6,18H,2,5,7-17H2,1,3-4H3.
What are the key properties of N-(6-methylheptyl)-N-octylprop-2-enamide?
N-(6-methylheptyl)-N-octylprop-2-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.58, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptyl)-N-octylprop-2-enamide is sourced from PubChem (CID 57264060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).