(Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide

C23H28N2O — CID 89148105

IUPAC(Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide
SMILESC/C(N)=C(\C=C/C(C)C)C(=O)NCc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O/c1-17(2)9-14-22(18(3)24)23(26)25-16-21-12-10-20(11-13-21)15-19-7-5-4-6-8-19/h4-14,17H,15-16,24H2,1-3H3,(H,25,26)/b14-9-,22-18-
InChIKeyMYJGDEISHYZPDX-FJTDYCCXSA-N
MW348.49 g/mol
LogP4.34
Rot. Bonds7

About (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide

(Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide (PubChem CID 89148105) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide.

Molecular Properties

Compound Name(Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide
PubChem CID89148105
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide
SMILESC/C(N)=C(\C=C/C(C)C)C(=O)NCc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O/c1-17(2)9-14-22(18(3)24)23(26)25-16-21-12-10-20(11-13-21)15-19-7-5-4-6-8-19/h4-14,17H,15-16,24H2,1-3H3,(H,25,26)/b14-9-,22-18-
InChIKeyMYJGDEISHYZPDX-FJTDYCCXSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z,2Z)-2-(1-aminoethylidene)-5-fluoro-N-[[3-(2-methoxyphenoxy)phenyl]methyl]hex-3-enamide
CID 89148232
(Z,2Z)-2-(1-aminoethylidene)-5-fluoro-N-[[3-(2-fluorophenoxy)phenyl]methyl]hex-3-enamide
CID 89148132
N'-benzyloxamide
CID 561416
(Z)-3-amino-N-benzyl-2-cyanobut-2-enamide
CID 91998931
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide?
The IUPAC name of (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide (CID 89148105) is (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide.
What is the SMILES notation for (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide?
The canonical SMILES for (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide is C/C(N)=C(\C=C/C(C)C)C(=O)NCc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide?
The InChIKey is MYJGDEISHYZPDX-FJTDYCCXSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(2)9-14-22(18(3)24)23(26)25-16-21-12-10-20(11-13-21)15-19-7-5-4-6-8-19/h4-14,17H,15-16,24H2,1-3H3,(H,25,26)/b14-9-,22-18-.
What are the key properties of (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide?
(Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide has a molecular weight of 348.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(1-aminoethylidene)-N-[(4-benzylphenyl)methyl]-5-methylhex-3-enamide is sourced from PubChem (CID 89148105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).