(Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide

C17H20N2O2 — CID 142891391

IUPAC(Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide
SMILESC=C(/C=C(\N=C\C)C(C)=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H20N2O2/c1-5-18-16(14(4)20)10-13(3)17(21)19-11-15-8-6-12(2)7-9-15/h5-10H,3,11H2,1-2,4H3,(H,19,21)/b16-10-,18-5+
InChIKeyPFVLALXFBFXEEP-BAWRLJNZSA-N
MW284.36 g/mol
LogP2.73
Rot. Bonds6

About (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide

(Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide (PubChem CID 142891391) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide.

Molecular Properties

Compound Name(Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide
PubChem CID142891391
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide
SMILESC=C(/C=C(\N=C\C)C(C)=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H20N2O2/c1-5-18-16(14(4)20)10-13(3)17(21)19-11-15-8-6-12(2)7-9-15/h5-10H,3,11H2,1-2,4H3,(H,19,21)/b16-10-,18-5+
InChIKeyPFVLALXFBFXEEP-BAWRLJNZSA-N
XLogP2.73
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
4-[(4-methylphenyl)methylamino]pent-3-en-2-one
CID 4854696
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
(Z)-2-amino-N-[(4-methylphenyl)methyl]-3-sulfanylbut-2-enamide
CID 155717355
N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
CID 2271421
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide
CID 143932389
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide?
The IUPAC name of (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide (CID 142891391) is (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide.
What is the SMILES notation for (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide?
The canonical SMILES for (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide is C=C(/C=C(\N=C\C)C(C)=O)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide?
The InChIKey is PFVLALXFBFXEEP-BAWRLJNZSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-5-18-16(14(4)20)10-13(3)17(21)19-11-15-8-6-12(2)7-9-15/h5-10H,3,11H2,1-2,4H3,(H,19,21)/b16-10-,18-5+.
What are the key properties of (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide?
(Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide has a molecular weight of 284.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylideneamino)-2-methylidene-N-[(4-methylphenyl)methyl]-5-oxohex-3-enamide is sourced from PubChem (CID 142891391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).