N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide

C17H29NO — CID 76600114

IUPACN-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide
SMILESCC=CC(=O)N(CC=C(C)CCC=C(C)C)C(C)C
InChIInChI=1S/C17H29NO/c1-7-9-17(19)18(15(4)5)13-12-16(6)11-8-10-14(2)3/h7,9-10,12,15H,8,11,13H2,1-6H3
InChIKeyAHAUTKXCHLBIRH-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.49
Rot. Bonds7

About N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide

N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide (PubChem CID 76600114) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide
PubChem CID76600114
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide
SMILESCC=CC(=O)N(CC=C(C)CCC=C(C)C)C(C)C
InChIInChI=1S/C17H29NO/c1-7-9-17(19)18(15(4)5)13-12-16(6)11-8-10-14(2)3/h7,9-10,12,15H,8,11,13H2,1-6H3
InChIKeyAHAUTKXCHLBIRH-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide
CID 5275517
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561548
(E)-N,N-diethyl-5-methylhex-2-enamide
CID 14340793
(E)-N,N-diethyl dec-2-enamide
CID 72548612
(2S,6S)-1-acetyl-4-methyl-2,6-diprop-2-enyl-1,2,5,6-tetrahydropyridine
CID 726193
(E)-N,N-diethyl-7-iodohept-2-enamide
CID 13159339
1-ethyl-2,4-dimethyl-2H-pyrrol-5-one
CID 13331587
1,4-dimethyl-2-propyl-2H-pyrrol-5-one
CID 13331590
(Z)-N,N-diethylhept-2-enamide
CID 162678727
N-diethyl-4-methylpent-2-enamide
CID 21135745
Pentenoic acid diethylamide
CID 53924574

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide (CID 76600114) is N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide is CC=CC(=O)N(CC=C(C)CCC=C(C)C)C(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide?
The InChIKey is AHAUTKXCHLBIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-9-17(19)18(15(4)5)13-12-16(6)11-8-10-14(2)3/h7,9-10,12,15H,8,11,13H2,1-6H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide?
N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide has a molecular weight of 263.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 76600114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).