N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide

C18H35NO — CID 146650906

IUPACN-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide
SMILESC=CCCNC(=O)C(CC(C)(C)CCC)C(C)(C)CC
InChIInChI=1S/C18H35NO/c1-8-11-13-19-16(20)15(18(6,7)10-3)14-17(4,5)12-9-2/h8,15H,1,9-14H2,2-7H3,(H,19,20)
InChIKeyYJFXAQLBTKAKCD-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.95
Rot. Bonds10

About N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide

N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide (PubChem CID 146650906) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide.

Molecular Properties

Compound NameN-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide
PubChem CID146650906
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide
SMILESC=CCCNC(=O)C(CC(C)(C)CCC)C(C)(C)CC
InChIInChI=1S/C18H35NO/c1-8-11-13-19-16(20)15(18(6,7)10-3)14-17(4,5)12-9-2/h8,15H,1,9-14H2,2-7H3,(H,19,20)
InChIKeyYJFXAQLBTKAKCD-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide?
The IUPAC name of N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide (CID 146650906) is N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide.
What is the SMILES notation for N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide?
The canonical SMILES for N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide is C=CCCNC(=O)C(CC(C)(C)CCC)C(C)(C)CC.
What is the InChIKey of N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide?
The InChIKey is YJFXAQLBTKAKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-8-11-13-19-16(20)15(18(6,7)10-3)14-17(4,5)12-9-2/h8,15H,1,9-14H2,2-7H3,(H,19,20).
What are the key properties of N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide?
N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide has a molecular weight of 281.48 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4,4-dimethyl-2-(2-methylbutan-2-yl)heptanamide is sourced from PubChem (CID 146650906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).