(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide

C20H27NO — CID 156877847

IUPAC(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide
SMILESC=C/C=C\C(=C)C(C)(C(=O)NCCC(C)C)c1ccccc1
InChIInChI=1S/C20H27NO/c1-6-7-11-17(4)20(5,18-12-9-8-10-13-18)19(22)21-15-14-16(2)3/h6-13,16H,1,4,14-15H2,2-3,5H3,(H,21,22)/b11-7-
InChIKeyVILKLSITWVGQEN-XFFZJAGNSA-N
MW297.44 g/mol
LogP4.41
Rot. Bonds8

About (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide

(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide (PubChem CID 156877847) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide
PubChem CID156877847
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide
SMILESC=C/C=C\C(=C)C(C)(C(=O)NCCC(C)C)c1ccccc1
InChIInChI=1S/C20H27NO/c1-6-7-11-17(4)20(5,18-12-9-8-10-13-18)19(22)21-15-14-16(2)3/h6-13,16H,1,4,14-15H2,2-3,5H3,(H,21,22)/b11-7-
InChIKeyVILKLSITWVGQEN-XFFZJAGNSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide;2-methylpropane
CID 156877846
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide
CID 108966324
(1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene
CID 123268575
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
3-(4-benzylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylbutyl)-3-oxopropanamide
CID 108964802
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-methyl-2-phenyl-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659574
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide?
The IUPAC name of (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide (CID 156877847) is (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide.
What is the SMILES notation for (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide?
The canonical SMILES for (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide is C=C/C=C\C(=C)C(C)(C(=O)NCCC(C)C)c1ccccc1.
What is the InChIKey of (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide?
The InChIKey is VILKLSITWVGQEN-XFFZJAGNSA-N. The full InChI is InChI=1S/C20H27NO/c1-6-7-11-17(4)20(5,18-12-9-8-10-13-18)19(22)21-15-14-16(2)3/h6-13,16H,1,4,14-15H2,2-3,5H3,(H,21,22)/b11-7-.
What are the key properties of (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide?
(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide has a molecular weight of 297.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide is sourced from PubChem (CID 156877847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).