(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide

C13H14N2O2 — CID 142007343

IUPAC(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide
SMILESC=N/C(=C\C(=C)Oc1cccc(C)c1)C(N)=O
InChIInChI=1S/C13H14N2O2/c1-9-5-4-6-11(7-9)17-10(2)8-12(15-3)13(14)16/h4-8H,2-3H2,1H3,(H2,14,16)/b12-8-
InChIKeyFEORUSCVJIQWOB-WQLSENKSSA-N
MW230.27 g/mol
LogP1.96
Rot. Bonds5

About (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide

(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide (PubChem CID 142007343) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide
PubChem CID142007343
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide
SMILESC=N/C(=C\C(=C)Oc1cccc(C)c1)C(N)=O
InChIInChI=1S/C13H14N2O2/c1-9-5-4-6-11(7-9)17-10(2)8-12(15-3)13(14)16/h4-8H,2-3H2,1H3,(H2,14,16)/b12-8-
InChIKeyFEORUSCVJIQWOB-WQLSENKSSA-N
XLogP1.96
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

(2Z)-2-(methylideneamino)-4-(3-methylphenyl)sulfanylpenta-2,4-dienamide
CID 142007346
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide
CID 132592839
(3-methylphenyl) 3-aminopropanoate
CID 82111471
(3-methylphenyl) 3,3-dimethyl-2-methylidenebutanoate
CID 139998257
bis(3-methylphenyl) 2-methylidenebutanedioate
CID 71403365
propyl N-(3-methylphenoxy)carbonyliminocarbamate
CID 140646300
bis(3-methylphenyl) pentanedioate
CID 70246036
(3-methylphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 532724
1-O-ethyl 4-O-(3-methylphenyl) butanedioate
CID 91702415
1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene
CID 91209223

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide?
The IUPAC name of (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide (CID 142007343) is (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide?
The canonical SMILES for (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide is C=N/C(=C\C(=C)Oc1cccc(C)c1)C(N)=O.
What is the InChIKey of (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide?
The InChIKey is FEORUSCVJIQWOB-WQLSENKSSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-4-6-11(7-9)17-10(2)8-12(15-3)13(14)16/h4-8H,2-3H2,1H3,(H2,14,16)/b12-8-.
What are the key properties of (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide?
(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide has a molecular weight of 230.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide is sourced from PubChem (CID 142007343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).