2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide

C11H18N2O — CID 142236858

IUPAC2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide
SMILESC=C/C=N\C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-6-8-12-9(7-2)13-10(14)11(3,4)5/h6-8H,1H2,2-5H3,(H,13,14)/b9-7+,12-8-
InChIKeyDDWXDYGNUCKUPP-FRQRXSQCSA-N
MW194.28 g/mol
LogP2.27
Rot. Bonds3

About 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide

2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide (PubChem CID 142236858) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide
PubChem CID142236858
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide
SMILESC=C/C=N\C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-6-8-12-9(7-2)13-10(14)11(3,4)5/h6-8H,1H2,2-5H3,(H,13,14)/b9-7+,12-8-
InChIKeyDDWXDYGNUCKUPP-FRQRXSQCSA-N
XLogP2.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]propanamide
CID 142174793
1-methyl-3-prop-2-enylideneurea
CID 91455060
[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten
CID 171733590
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane
CID 177229966
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
prop-2-enylidenecarbamic acid
CID 175459397
N-[(Z)-ethylideneamino]-2,2-dimethylpropanamide
CID 130468433
N-(tert-butylcarbamoyl)-2,2-dimethylpropanamide
CID 58200215
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
CID 143529170
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
N-(chlorocarbamoyl)-2,2-dimethylpropanamide
CID 130011017

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide (CID 142236858) is 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide is C=C/C=N\C(=C/C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide?
The InChIKey is DDWXDYGNUCKUPP-FRQRXSQCSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-8-12-9(7-2)13-10(14)11(3,4)5/h6-8H,1H2,2-5H3,(H,13,14)/b9-7+,12-8-.
What are the key properties of 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide?
2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide has a molecular weight of 194.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide is sourced from PubChem (CID 142236858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).