N-(2-methylheptan-2-yl)but-2-enamide

C12H23NO — CID 87737908

IUPACN-(2-methylheptan-2-yl)but-2-enamide
SMILESCC=CC(=O)NC(C)(C)CCCCC
InChIInChI=1S/C12H23NO/c1-5-7-8-10-12(3,4)13-11(14)9-6-2/h6,9H,5,7-8,10H2,1-4H3,(H,13,14)
InChIKeyHJPCVWAEJTUKAY-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.04
Rot. Bonds6

About N-(2-methylheptan-2-yl)but-2-enamide

N-(2-methylheptan-2-yl)but-2-enamide (PubChem CID 87737908) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methylheptan-2-yl)but-2-enamide.

Molecular Properties

Compound NameN-(2-methylheptan-2-yl)but-2-enamide
PubChem CID87737908
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-methylheptan-2-yl)but-2-enamide
SMILESCC=CC(=O)NC(C)(C)CCCCC
InChIInChI=1S/C12H23NO/c1-5-7-8-10-12(3,4)13-11(14)9-6-2/h6,9H,5,7-8,10H2,1-4H3,(H,13,14)
InChIKeyHJPCVWAEJTUKAY-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
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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Related Compounds

N-(2,4,4-trimethylpentan-2-yl)but-2-enamide
CID 112725240
3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide
CID 23336254
N-(trihydroxymethyl)but-2-enamide
CID 154354345
but-2-enoic acid;tetracosane
CID 159276528
(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide
CID 118626867
2-(diethylamino)-N-(2-methylnonan-2-yl)acetamide;hydrochloride
CID 138396996
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide
CID 3066164
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
(2E,4Z)-N-tert-butyldeca-2,4-dienamide
CID 87311123
(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide
CID 167491092
(E)-N-(3,3-dimethylbutyl)but-2-enamide
CID 115580737

Frequently Asked Questions

What is the IUPAC name of N-(2-methylheptan-2-yl)but-2-enamide?
The IUPAC name of N-(2-methylheptan-2-yl)but-2-enamide (CID 87737908) is N-(2-methylheptan-2-yl)but-2-enamide.
What is the SMILES notation for N-(2-methylheptan-2-yl)but-2-enamide?
The canonical SMILES for N-(2-methylheptan-2-yl)but-2-enamide is CC=CC(=O)NC(C)(C)CCCCC.
What is the InChIKey of N-(2-methylheptan-2-yl)but-2-enamide?
The InChIKey is HJPCVWAEJTUKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-7-8-10-12(3,4)13-11(14)9-6-2/h6,9H,5,7-8,10H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methylheptan-2-yl)but-2-enamide?
N-(2-methylheptan-2-yl)but-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylheptan-2-yl)but-2-enamide is sourced from PubChem (CID 87737908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).