ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide

C15H24N2O2 — CID 142007361

IUPACethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide
SMILESC=C(/C=C(\NC)C(N)=O)OC1=CC=C(C)CC1.CC
InChIInChI=1S/C13H18N2O2.C2H6/c1-9-4-6-11(7-5-9)17-10(2)8-12(15-3)13(14)16;1-2/h4,6,8,15H,2,5,7H2,1,3H3,(H2,14,16);1-2H3/b12-8-;
InChIKeyUVCZANAXPSRPOA-JCTPKUEWSA-N
MW264.37 g/mol
LogP2.76
Rot. Bonds5

About ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide

ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide (PubChem CID 142007361) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide.

Molecular Properties

Compound Nameethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide
PubChem CID142007361
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide
SMILESC=C(/C=C(\NC)C(N)=O)OC1=CC=C(C)CC1.CC
InChIInChI=1S/C13H18N2O2.C2H6/c1-9-4-6-11(7-5-9)17-10(2)8-12(15-3)13(14)16;1-2/h4,6,8,15H,2,5,7H2,1,3H3,(H2,14,16);1-2H3/b12-8-;
InChIKeyUVCZANAXPSRPOA-JCTPKUEWSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(4-methylcyclohexa-1,3-dien-1-yl) acetate
CID 145345549
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
CID 91751074
2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde
CID 91547146
2-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 146775535
1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene
CID 145340240
1-methyl-4-propoxycyclohexa-1,3-diene
CID 90360498
methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium
CID 163856263
ethane;(4-nitrocyclohexa-1,3-dien-1-yl) carbonochloridate
CID 143037585
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)cyclohexa-1,3-dien-1-yl] prop-2-enoate
CID 122433548
2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide
CID 143601210
(4-iodocyclohexa-1,3-dien-1-yl) acetate
CID 147154384

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide?
The IUPAC name of ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide (CID 142007361) is ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide.
What is the SMILES notation for ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide?
The canonical SMILES for ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide is C=C(/C=C(\NC)C(N)=O)OC1=CC=C(C)CC1.CC.
What is the InChIKey of ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide?
The InChIKey is UVCZANAXPSRPOA-JCTPKUEWSA-N. The full InChI is InChI=1S/C13H18N2O2.C2H6/c1-9-4-6-11(7-5-9)17-10(2)8-12(15-3)13(14)16;1-2/h4,6,8,15H,2,5,7H2,1,3H3,(H2,14,16);1-2H3/b12-8-;.
What are the key properties of ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide?
ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide has a molecular weight of 264.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide is sourced from PubChem (CID 142007361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).