N-(7-methyloctyl)but-2-enamide

C13H25NO — CID 112727082

IUPACN-(7-methyloctyl)but-2-enamide
SMILESCC=CC(=O)NCCCCCCC(C)C
InChIInChI=1S/C13H25NO/c1-4-9-13(15)14-11-8-6-5-7-10-12(2)3/h4,9,12H,5-8,10-11H2,1-3H3,(H,14,15)
InChIKeyKBMWVWWBWGYLHX-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.29
Rot. Bonds8

About N-(7-methyloctyl)but-2-enamide

N-(7-methyloctyl)but-2-enamide (PubChem CID 112727082) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(7-methyloctyl)but-2-enamide.

Molecular Properties

Compound NameN-(7-methyloctyl)but-2-enamide
PubChem CID112727082
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(7-methyloctyl)but-2-enamide
SMILESCC=CC(=O)NCCCCCCC(C)C
InChIInChI=1S/C13H25NO/c1-4-9-13(15)14-11-8-6-5-7-10-12(2)3/h4,9,12H,5-8,10-11H2,1-3H3,(H,14,15)
InChIKeyKBMWVWWBWGYLHX-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.29
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-[5-(methylamino)pentyl]but-2-enamide
CID 91428426
N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
CID 158939992
(E)-N-(5-methylsulfanylpentyl)but-2-enamide
CID 104920081
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
1-methyl-3-(7-methyloctyl)urea
CID 71899901
N-[5-(diethylamino)pentyl]but-2-enamide
CID 91596429
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982
12-methyltridec-2-en-4-one
CID 123882041
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)but-2-enamide?
The IUPAC name of N-(7-methyloctyl)but-2-enamide (CID 112727082) is N-(7-methyloctyl)but-2-enamide.
What is the SMILES notation for N-(7-methyloctyl)but-2-enamide?
The canonical SMILES for N-(7-methyloctyl)but-2-enamide is CC=CC(=O)NCCCCCCC(C)C.
What is the InChIKey of N-(7-methyloctyl)but-2-enamide?
The InChIKey is KBMWVWWBWGYLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-9-13(15)14-11-8-6-5-7-10-12(2)3/h4,9,12H,5-8,10-11H2,1-3H3,(H,14,15).
What are the key properties of N-(7-methyloctyl)but-2-enamide?
N-(7-methyloctyl)but-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)but-2-enamide is sourced from PubChem (CID 112727082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).