N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione

C20H34N2O4 — CID 145198488

IUPACN-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione
SMILESC=C/C=C\C=C.CC.CC.CC(=O)N(C)C(C)=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H8.C5H5NO2.C5H9NO2.2C2H6/c1-3-5-6-4-2;1-6-4(7)2-3-5(6)8;1-4(7)6(3)5(2)8;2*1-2/h3-6H,1-2H2;2-3H,1H3;1-3H3;2*1-2H3/b6-5-;;;;
InChIKeyAWXCLCPVULKXNJ-YGGCHVFLSA-N
MW366.50 g/mol
LogP3.52
Rot. Bonds2

About N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione

N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione (PubChem CID 145198488) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound NameN-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione
PubChem CID145198488
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC NameN-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione
SMILESC=C/C=C\C=C.CC.CC.CC(=O)N(C)C(C)=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H8.C5H5NO2.C5H9NO2.2C2H6/c1-3-5-6-4-2;1-6-4(7)2-3-5(6)8;1-4(7)6(3)5(2)8;2*1-2/h3-6H,1-2H2;2-3H,1H3;1-3H3;2*1-2H3/b6-5-;;;;
InChIKeyAWXCLCPVULKXNJ-YGGCHVFLSA-N
XLogP3.52
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanamine;1-methylpyrrole-2,5-dione;propan-2-one
CID 91192658
ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]pyrrole-2,5-dione
CID 144507908
3-bromobut-3-en-2-one;but-3-en-2-one;3-chlorobut-3-en-2-one;1-methylpyrrole-2,5-dione
CID 160994226
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione
CID 143649128
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
CID 143409642
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
CID 118361831
ethane;N-ethenyl-N-methylacetamide
CID 143223383
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
[(E)-2-cyanoethenyl] [(3E,5Z)-octa-1,3,5-trien-4-yl] sulfate;ethane;1-methylpyrrole-2,5-dione
CID 142806171
5-methylbicyclo[2.2.1]hept-2-ene;2-methylprop-2-enal;1-methylpyrrole-2,5-dione;prop-1-ene
CID 158447084

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione?
The IUPAC name of N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione (CID 145198488) is N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione.
What is the SMILES notation for N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione?
The canonical SMILES for N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione is C=C/C=C\C=C.CC.CC.CC(=O)N(C)C(C)=O.CN1C(=O)C=CC1=O.
What is the InChIKey of N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione?
The InChIKey is AWXCLCPVULKXNJ-YGGCHVFLSA-N. The full InChI is InChI=1S/C6H8.C5H5NO2.C5H9NO2.2C2H6/c1-3-5-6-4-2;1-6-4(7)2-3-5(6)8;1-4(7)6(3)5(2)8;2*1-2/h3-6H,1-2H2;2-3H,1H3;1-3H3;2*1-2H3/b6-5-;;;;.
What are the key properties of N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione?
N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione has a molecular weight of 366.50 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 145198488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).