(3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide

C21H40N2O — CID 166820160

IUPAC(3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide
SMILESCCCCN(CCC)C(C)/C=C(C)\C=C/C(C)C(=O)N(C)CCC
InChIInChI=1S/C21H40N2O/c1-8-11-16-23(15-10-3)20(6)17-18(4)12-13-19(5)21(24)22(7)14-9-2/h12-13,17,19-20H,8-11,14-16H2,1-7H3/b13-12-,18-17-
InChIKeyUSHXWSQLRHLSOV-SWVJTGCDSA-N
MW336.56 g/mol
LogP4.89
Rot. Bonds12

About (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide

(3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide (PubChem CID 166820160) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide
PubChem CID166820160
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name(3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide
SMILESCCCCN(CCC)C(C)/C=C(C)\C=C/C(C)C(=O)N(C)CCC
InChIInChI=1S/C21H40N2O/c1-8-11-16-23(15-10-3)20(6)17-18(4)12-13-19(5)21(24)22(7)14-9-2/h12-13,17,19-20H,8-11,14-16H2,1-7H3/b13-12-,18-17-
InChIKeyUSHXWSQLRHLSOV-SWVJTGCDSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide with MolForge

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Related Compounds

N-[(2E,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylcyclopropanecarboxamide
CID 57710764
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methyl-N-propan-2-ylbutanamide
CID 57710873
N-butyl-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide
CID 57710982
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-methyl-N-propan-2-ylbutanamide
CID 57711132
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methyl-N-propan-2-ylpropanamide
CID 57711164
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-methyl-N-propan-2-ylpropanamide
CID 57711177
N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylcyclopropanecarboxamide
CID 57711327
N-butyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide
CID 57711532
(2E,4E,6E)-8-methyl-7-(oxomethyl)-N,N,2-tri(propan-2-yl)nona-2,4,6-trienamide;nickel(3+);propane
CID 59412370
(E)-2-isopropyl-2,4-pentadienoic acid diisopropylamide
CID 59412382
N,N,2-tri(propan-2-yl)penta-2,4-dienamide
CID 72277354
N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide
CID 76599942

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide (CID 166820160) is (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide is CCCCN(CCC)C(C)/C=C(C)\C=C/C(C)C(=O)N(C)CCC.
What is the InChIKey of (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide?
The InChIKey is USHXWSQLRHLSOV-SWVJTGCDSA-N. The full InChI is InChI=1S/C21H40N2O/c1-8-11-16-23(15-10-3)20(6)17-18(4)12-13-19(5)21(24)22(7)14-9-2/h12-13,17,19-20H,8-11,14-16H2,1-7H3/b13-12-,18-17-.
What are the key properties of (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide?
(3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide has a molecular weight of 336.56 g/mol, XLogP of 4.89, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-[butyl(propyl)amino]-N,2,5-trimethyl-N-propylocta-3,5-dienamide is sourced from PubChem (CID 166820160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).