(2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide

C19H23NO — CID 88613799

IUPAC(2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide
SMILESCC(C)CNC(=O)/C=C/CCC#C/C=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-17(2)16-20-19(21)15-11-6-4-3-5-8-12-18-13-9-7-10-14-18/h7-15,17H,4,6,16H2,1-2H3,(H,20,21)/b12-8+,15-11+
InChIKeyFAQUSANMOJHTRH-HRVWGNOLSA-N
MW281.40 g/mol
LogP3.81
Rot. Bonds6

About (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide

(2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide (PubChem CID 88613799) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide.

Molecular Properties

Compound Name(2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide
PubChem CID88613799
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide
SMILESCC(C)CNC(=O)/C=C/CCC#C/C=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-17(2)16-20-19(21)15-11-6-4-3-5-8-12-18-13-9-7-10-14-18/h7-15,17H,4,6,16H2,1-2H3,(H,20,21)/b12-8+,15-11+
InChIKeyFAQUSANMOJHTRH-HRVWGNOLSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
CID 101414630
7-phenylhept-6-en-4-ynal
CID 54074869
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
(E)-N-(2-methylpropyl)-3-(2-phenylethylsulfanyl)prop-2-enamide
CID 134093332
N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
CID 71337744
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide;(2E,4E)-undeca-2,4-dien-8,10-diynoic acid
CID 160813359
2-imino-4-methyl-5-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 174690155
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797

Frequently Asked Questions

What is the IUPAC name of (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide?
The IUPAC name of (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide (CID 88613799) is (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide.
What is the SMILES notation for (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide?
The canonical SMILES for (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide is CC(C)CNC(=O)/C=C/CCC#C/C=C/c1ccccc1.
What is the InChIKey of (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide?
The InChIKey is FAQUSANMOJHTRH-HRVWGNOLSA-N. The full InChI is InChI=1S/C19H23NO/c1-17(2)16-20-19(21)15-11-6-4-3-5-8-12-18-13-9-7-10-14-18/h7-15,17H,4,6,16H2,1-2H3,(H,20,21)/b12-8+,15-11+.
What are the key properties of (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide?
(2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide has a molecular weight of 281.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E)-N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide is sourced from PubChem (CID 88613799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).