(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide

C14H17NO — CID 139551714

IUPAC(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide
SMILESCc1ccc(/C=C/C=C/C(=O)N(C)C)cc1
InChIInChI=1S/C14H17NO/c1-12-8-10-13(11-9-12)6-4-5-7-14(16)15(2)3/h4-11H,1-3H3/b6-4+,7-5+
InChIKeyREHUFHVNXWZTAS-YDFGWWAZSA-N
MW215.30 g/mol
LogP2.65
Rot. Bonds3

About (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide

(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide (PubChem CID 139551714) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide
PubChem CID139551714
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide
SMILESCc1ccc(/C=C/C=C/C(=O)N(C)C)cc1
InChIInChI=1S/C14H17NO/c1-12-8-10-13(11-9-12)6-4-5-7-14(16)15(2)3/h4-11H,1-3H3/b6-4+,7-5+
InChIKeyREHUFHVNXWZTAS-YDFGWWAZSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.65
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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Related Compounds

5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
CID 3065846
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
(2E,4E)-5-(4-hydroxyphenyl)-N-(4-methylphenyl)penta-2,4-dienamide
CID 10492944
(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
CID 134111994
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
CID 134907476
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide (CID 139551714) is (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide is Cc1ccc(/C=C/C=C/C(=O)N(C)C)cc1.
What is the InChIKey of (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide?
The InChIKey is REHUFHVNXWZTAS-YDFGWWAZSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-8-10-13(11-9-12)6-4-5-7-14(16)15(2)3/h4-11H,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide?
(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide has a molecular weight of 215.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide is sourced from PubChem (CID 139551714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).