2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide

C12H19NO — CID 22759359

IUPAC2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide
SMILESC=C(C)CN(CC(=C)C)C(=O)C(=C)C
InChIInChI=1S/C12H19NO/c1-9(2)7-13(8-10(3)4)12(14)11(5)6/h1,3,5,7-8H2,2,4,6H3
InChIKeyITPKSKWOSVQTCM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.54
Rot. Bonds5

About 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide

2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide (PubChem CID 22759359) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide
PubChem CID22759359
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide
SMILESC=C(C)CN(CC(=C)C)C(=O)C(=C)C
InChIInChI=1S/C12H19NO/c1-9(2)7-13(8-10(3)4)12(14)11(5)6/h1,3,5,7-8H2,2,4,6H3
InChIKeyITPKSKWOSVQTCM-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 78882
CID 78882
CID 81465
CID 81465
CID 228225
CID 228225
CID 4418346
CID 4418346
CID 106429
CID 106429
CID 223380
CID 223380
CID 81838
CID 81838
CID 228228
CID 228228
CID 9990299
CID 9990299
CID 10236010
CID 10236010
CID 12947886
CID 12947886
CID 13331586
CID 13331586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide (CID 22759359) is 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide is C=C(C)CN(CC(=C)C)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide?
The InChIKey is ITPKSKWOSVQTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)7-13(8-10(3)4)12(14)11(5)6/h1,3,5,7-8H2,2,4,6H3.
What are the key properties of 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide?
2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide has a molecular weight of 193.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-enamide is sourced from PubChem (CID 22759359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).