N-(2-methylprop-2-enoyl)heptadecanamide

C21H39NO2 — CID 91422335

IUPACN-(2-methylprop-2-enoyl)heptadecanamide
SMILESC=C(C)C(=O)NC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C21H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-21(24)19(2)3/h2,4-18H2,1,3H3,(H,22,23,24)
InChIKeyKNLVOBONLGQCLC-UHFFFAOYSA-N
MW337.55 g/mol
LogP6.08
Rot. Bonds16

About N-(2-methylprop-2-enoyl)heptadecanamide

N-(2-methylprop-2-enoyl)heptadecanamide (PubChem CID 91422335) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is N-(2-methylprop-2-enoyl)heptadecanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enoyl)heptadecanamide
PubChem CID91422335
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC NameN-(2-methylprop-2-enoyl)heptadecanamide
SMILESC=C(C)C(=O)NC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C21H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-21(24)19(2)3/h2,4-18H2,1,3H3,(H,22,23,24)
InChIKeyKNLVOBONLGQCLC-UHFFFAOYSA-N
XLogP6.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N-prop-1-en-2-ylheptanamide
CID 89354267
N-decanoyldecanamide
CID 87914075
N-acetylundecanamide
CID 18949728
N-octanoyloctanamide;hydrobromide
CID 175059894
2-(octadecanoylamino)prop-2-enoic acid
CID 126504560
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
N-carbamoyloctanamide
CID 24740663
2-methylhentriacont-1-en-3-one
CID 153436335
2-methyltridec-1-en-3-one
CID 91110358
2-methylnonadec-1-en-3-one
CID 150628128
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(2-methylpropanoyl)heptanamide
CID 150179955

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enoyl)heptadecanamide?
The IUPAC name of N-(2-methylprop-2-enoyl)heptadecanamide (CID 91422335) is N-(2-methylprop-2-enoyl)heptadecanamide.
What is the SMILES notation for N-(2-methylprop-2-enoyl)heptadecanamide?
The canonical SMILES for N-(2-methylprop-2-enoyl)heptadecanamide is C=C(C)C(=O)NC(=O)CCCCCCCCCCCCCCCC.
What is the InChIKey of N-(2-methylprop-2-enoyl)heptadecanamide?
The InChIKey is KNLVOBONLGQCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-21(24)19(2)3/h2,4-18H2,1,3H3,(H,22,23,24).
What are the key properties of N-(2-methylprop-2-enoyl)heptadecanamide?
N-(2-methylprop-2-enoyl)heptadecanamide has a molecular weight of 337.55 g/mol, XLogP of 6.08, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enoyl)heptadecanamide is sourced from PubChem (CID 91422335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).