(3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide

C19H33NO — CID 118684269

IUPAC(3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide
SMILESCC(C)=C(/C=C\C=C/C(C)C)C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C19H33NO/c1-14(2)11-9-10-12-18(16(5)6)19(21)20(17(7)8)13-15(3)4/h9-12,14-15,17H,13H2,1-8H3/b11-9-,12-10-
InChIKeyFBYSRJRXBAHNGG-HWAYABPNSA-N
MW291.48 g/mol
LogP4.98
Rot. Bonds7

About (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide

(3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide (PubChem CID 118684269) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide
PubChem CID118684269
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide
SMILESCC(C)=C(/C=C\C=C/C(C)C)C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C19H33NO/c1-14(2)11-9-10-12-18(16(5)6)19(21)20(17(7)8)13-15(3)4/h9-12,14-15,17H,13H2,1-8H3/b11-9-,12-10-
InChIKeyFBYSRJRXBAHNGG-HWAYABPNSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide (CID 118684269) is (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide is CC(C)=C(/C=C\C=C/C(C)C)C(=O)N(CC(C)C)C(C)C.
What is the InChIKey of (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide?
The InChIKey is FBYSRJRXBAHNGG-HWAYABPNSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)11-9-10-12-18(16(5)6)19(21)20(17(7)8)13-15(3)4/h9-12,14-15,17H,13H2,1-8H3/b11-9-,12-10-.
What are the key properties of (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide?
(3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide has a molecular weight of 291.48 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-propan-2-ylideneocta-3,5-dienamide is sourced from PubChem (CID 118684269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).