ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide

C14H26N2O — CID 178151413

IUPACethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
SMILESC=C/C=N/C(=C(\CC)C(=O)NC)C(C)C.CC
InChIInChI=1S/C12H20N2O.C2H6/c1-6-8-14-11(9(3)4)10(7-2)12(15)13-5;1-2/h6,8-9H,1,7H2,2-5H3,(H,13,15);1-2H3/b11-10+,14-8+;
InChIKeyIXZGXGPLWUJUBG-PPFRCDQXSA-N
MW238.37 g/mol
LogP3.34
Rot. Bonds5

About ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide

ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide (PubChem CID 178151413) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide.

Molecular Properties

Compound Nameethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
PubChem CID178151413
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
SMILESC=C/C=N/C(=C(\CC)C(=O)NC)C(C)C.CC
InChIInChI=1S/C12H20N2O.C2H6/c1-6-8-14-11(9(3)4)10(7-2)12(15)13-5;1-2/h6,8-9H,1,7H2,2-5H3,(H,13,15);1-2H3/b11-10+,14-8+;
InChIKeyIXZGXGPLWUJUBG-PPFRCDQXSA-N
XLogP3.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
CID 91470726
N,2-dimethylbutanamide;propane;N,3,7-trimethyl-3H-azepine-6-carboxamide
CID 142078577
4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane
CID 164865322
(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide
CID 170211815
N,3,7-trimethyl-3H-azepine-6-carboxamide
CID 142078578
(Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide
CID 162732345
(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
CID 178151414

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide?
The IUPAC name of ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide (CID 178151413) is ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide.
What is the SMILES notation for ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide?
The canonical SMILES for ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide is C=C/C=N/C(=C(\CC)C(=O)NC)C(C)C.CC.
What is the InChIKey of ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide?
The InChIKey is IXZGXGPLWUJUBG-PPFRCDQXSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-6-8-14-11(9(3)4)10(7-2)12(15)13-5;1-2/h6,8-9H,1,7H2,2-5H3,(H,13,15);1-2H3/b11-10+,14-8+;.
What are the key properties of ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide?
ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide has a molecular weight of 238.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide is sourced from PubChem (CID 178151413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).