N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide

C18H33NO — CID 76600264

IUPACN-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide
SMILESCCCN(CC=C(C)CCC=C(C)C)C(=O)C(C)CC
InChIInChI=1S/C18H33NO/c1-7-13-19(18(20)17(6)8-2)14-12-16(5)11-9-10-15(3)4/h10,12,17H,7-9,11,13-14H2,1-6H3
InChIKeyUSFIGDQLFVYREH-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.96
Rot. Bonds9

About N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide

N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide (PubChem CID 76600264) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide
PubChem CID76600264
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide
SMILESCCCN(CC=C(C)CCC=C(C)C)C(=O)C(C)CC
InChIInChI=1S/C18H33NO/c1-7-13-19(18(20)17(6)8-2)14-12-16(5)11-9-10-15(3)4/h10,12,17H,7-9,11,13-14H2,1-6H3
InChIKeyUSFIGDQLFVYREH-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
CID 76600040
N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
CID 76600230
N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide
CID 76599958
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 88637631
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine
CID 138519061

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide (CID 76600264) is N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide is CCCN(CC=C(C)CCC=C(C)C)C(=O)C(C)CC.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide?
The InChIKey is USFIGDQLFVYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-7-13-19(18(20)17(6)8-2)14-12-16(5)11-9-10-15(3)4/h10,12,17H,7-9,11,13-14H2,1-6H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide?
N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide has a molecular weight of 279.47 g/mol, XLogP of 4.96, 9 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)-2-methyl-N-propylbutanamide is sourced from PubChem (CID 76600264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).