N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane

C25H55NO — CID 142099919

IUPACN,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane
SMILESC=C(CC)/C(=C\C=C/C)N(C)C(=O)C(C)CC.CC.CC.CC.CC.CC
InChIInChI=1S/C15H25NO.5C2H6/c1-7-10-11-14(12(4)8-2)16(6)15(17)13(5)9-3;5*1-2/h7,10-11,13H,4,8-9H2,1-3,5-6H3;5*1-2H3/b10-7-,14-11+;;;;;
InChIKeyAKWYGEMQJNQMGQ-SCSOREHASA-N
MW385.72 g/mol
LogP9.05
Rot. Bonds6

About N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane

N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane (PubChem CID 142099919) has the molecular formula C25H55NO and a molecular weight of 385.72 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane
PubChem CID142099919
Molecular FormulaC25H55NO
Molecular Weight385.72 g/mol
Exact Mass385.43
IUPAC NameN,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane
SMILESC=C(CC)/C(=C\C=C/C)N(C)C(=O)C(C)CC.CC.CC.CC.CC.CC
InChIInChI=1S/C15H25NO.5C2H6/c1-7-10-11-14(12(4)8-2)16(6)15(17)13(5)9-3;5*1-2/h7,10-11,13H,4,8-9H2,1-3,5-6H3;5*1-2H3/b10-7-,14-11+;;;;;
InChIKeyAKWYGEMQJNQMGQ-SCSOREHASA-N
XLogP9.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.72
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane?
The IUPAC name of N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane (CID 142099919) is N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane.
What is the SMILES notation for N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane?
The canonical SMILES for N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane is C=C(CC)/C(=C\C=C/C)N(C)C(=O)C(C)CC.CC.CC.CC.CC.CC.
What is the InChIKey of N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane?
The InChIKey is AKWYGEMQJNQMGQ-SCSOREHASA-N. The full InChI is InChI=1S/C15H25NO.5C2H6/c1-7-10-11-14(12(4)8-2)16(6)15(17)13(5)9-3;5*1-2/h7,10-11,13H,4,8-9H2,1-3,5-6H3;5*1-2H3/b10-7-,14-11+;;;;;.
What are the key properties of N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane?
N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane has a molecular weight of 385.72 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4E,6Z)-3-methylideneocta-4,6-dien-4-yl]butanamide;ethane is sourced from PubChem (CID 142099919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).