N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide

C20H38N2O2 — CID 158002582

IUPACN-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
SMILESC=CC(=O)N(C)CCCCCC.CCCCCCC=C(C)C(N)=O
InChIInChI=1S/2C10H19NO/c1-4-6-7-8-9-11(3)10(12)5-2;1-3-4-5-6-7-8-9(2)10(11)12/h5H,2,4,6-9H2,1,3H3;8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyFDXHBTWEVBLIPY-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.60
Rot. Bonds12

About N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide

N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide (PubChem CID 158002582) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide.

Molecular Properties

Compound NameN-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
PubChem CID158002582
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC NameN-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
SMILESC=CC(=O)N(C)CCCCCC.CCCCCCC=C(C)C(N)=O
InChIInChI=1S/2C10H19NO/c1-4-6-7-8-9-11(3)10(12)5-2;1-3-4-5-6-7-8-9(2)10(11)12/h5H,2,4,6-9H2,1,3H3;8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyFDXHBTWEVBLIPY-UHFFFAOYSA-N
XLogP4.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.60
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

(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
2-methylhept-2-enamide;hydrate
CID 172812574
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
(Z)-N'-hexyl-N'-methylbut-2-enediamide
CID 87339309
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
11-hydroxy-2-methylundec-2-enamide
CID 141296717
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide?
The IUPAC name of N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide (CID 158002582) is N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide.
What is the SMILES notation for N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide?
The canonical SMILES for N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide is C=CC(=O)N(C)CCCCCC.CCCCCCC=C(C)C(N)=O.
What is the InChIKey of N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide?
The InChIKey is FDXHBTWEVBLIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19NO/c1-4-6-7-8-9-11(3)10(12)5-2;1-3-4-5-6-7-8-9(2)10(11)12/h5H,2,4,6-9H2,1,3H3;8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide?
N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide has a molecular weight of 338.54 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide is sourced from PubChem (CID 158002582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).