(E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide

C16H19NO — CID 53248036

IUPAC(E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide
SMILESCC(C)=C=CCN(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H19NO/c1-14(2)8-7-13-17(3)16(18)12-11-15-9-5-4-6-10-15/h4-7,9-12H,13H2,1-3H3/b12-11+
InChIKeyVEASQFQDNVRDRO-VAWYXSNFSA-N
MW241.33 g/mol
LogP3.28
Rot. Bonds4

About (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide

(E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide (PubChem CID 53248036) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide
PubChem CID53248036
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide
SMILESCC(C)=C=CCN(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H19NO/c1-14(2)8-7-13-17(3)16(18)12-11-15-9-5-4-6-10-15/h4-7,9-12H,13H2,1-3H3/b12-11+
InChIKeyVEASQFQDNVRDRO-VAWYXSNFSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-phenylprop-2-enamide
CID 82104134
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
CID 18737343
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylprop-2-enamide
CID 8500811

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide (CID 53248036) is (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide is CC(C)=C=CCN(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide?
The InChIKey is VEASQFQDNVRDRO-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H19NO/c1-14(2)8-7-13-17(3)16(18)12-11-15-9-5-4-6-10-15/h4-7,9-12H,13H2,1-3H3/b12-11+.
What are the key properties of (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide?
(E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide has a molecular weight of 241.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 53248036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).