N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide

C18H29NO — CID 76600230

IUPACN-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC=C(C)CCC=C(C)C)C(=O)C=C(C)C
InChIInChI=1S/C18H29NO/c1-7-12-19(18(20)14-16(4)5)13-11-17(6)10-8-9-15(2)3/h7,9,11,14H,1,8,10,12-13H2,2-6H3
InChIKeyCOGSZJBEGQIVSF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.66
Rot. Bonds8

About N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide

N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide (PubChem CID 76600230) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
PubChem CID76600230
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC=C(C)CCC=C(C)C)C(=O)C=C(C)C
InChIInChI=1S/C18H29NO/c1-7-12-19(18(20)14-16(4)5)13-11-17(6)10-8-9-15(2)3/h7,9,11,14H,1,8,10,12-13H2,2-6H3
InChIKeyCOGSZJBEGQIVSF-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.66
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'}

Analyze N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(E)-but-2-enedioic acid;(9E,13E)-2,9,13-trimethyl-15-[methyl(prop-2-enyl)amino]pentadeca-2,9,13-trien-6-one
CID 18434097
(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine
CID 138519061
4,8-dimethylnona-3,7-dienoic acid;(2E)-3,7-dimethylocta-2,6-dienoic acid
CID 160780461
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide
CID 76599938
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
methane;(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-2,3-dione;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-triene-2,3-dione
CID 159214024
N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
CID 76600040
(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

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide (CID 76600230) is N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide is C=CCN(CC=C(C)CCC=C(C)C)C(=O)C=C(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide?
The InChIKey is COGSZJBEGQIVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-7-12-19(18(20)14-16(4)5)13-11-17(6)10-8-9-15(2)3/h7,9,11,14H,1,8,10,12-13H2,2-6H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide?
N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide has a molecular weight of 275.44 g/mol, XLogP of 4.66, 8 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)-3-methyl-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 76600230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).