2-methyl-N-(6-oxooct-7-enyl)propanamide

C12H21NO2 — CID 58298973

IUPAC2-methyl-N-(6-oxooct-7-enyl)propanamide
SMILESC=CC(=O)CCCCCNC(=O)C(C)C
InChIInChI=1S/C12H21NO2/c1-4-11(14)8-6-5-7-9-13-12(15)10(2)3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyGFSUYGXXEGTLJG-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.07
Rot. Bonds8

About 2-methyl-N-(6-oxooct-7-enyl)propanamide

2-methyl-N-(6-oxooct-7-enyl)propanamide (PubChem CID 58298973) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-N-(6-oxooct-7-enyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxooct-7-enyl)propanamide
PubChem CID58298973
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-methyl-N-(6-oxooct-7-enyl)propanamide
SMILESC=CC(=O)CCCCCNC(=O)C(C)C
InChIInChI=1S/C12H21NO2/c1-4-11(14)8-6-5-7-9-13-12(15)10(2)3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyGFSUYGXXEGTLJG-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.07
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

2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
1,3-bis(4-oxohex-5-enyl)urea
CID 162231013
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
CID 174411041
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
9-trimethylsilylnon-1-en-3-one
CID 172735839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxooct-7-enyl)propanamide?
The IUPAC name of 2-methyl-N-(6-oxooct-7-enyl)propanamide (CID 58298973) is 2-methyl-N-(6-oxooct-7-enyl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-oxooct-7-enyl)propanamide?
The canonical SMILES for 2-methyl-N-(6-oxooct-7-enyl)propanamide is C=CC(=O)CCCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(6-oxooct-7-enyl)propanamide?
The InChIKey is GFSUYGXXEGTLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-11(14)8-6-5-7-9-13-12(15)10(2)3/h4,10H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of 2-methyl-N-(6-oxooct-7-enyl)propanamide?
2-methyl-N-(6-oxooct-7-enyl)propanamide has a molecular weight of 211.31 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxooct-7-enyl)propanamide is sourced from PubChem (CID 58298973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).