N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide

C12H22N2O2 — CID 86674667

IUPACN,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide
SMILESC=CC(=O)N(C)C.C=CC(=O)N(CC)CC
InChIInChI=1S/C7H13NO.C5H9NO/c1-4-7(9)8(5-2)6-3;1-4-5(7)6(2)3/h4H,1,5-6H2,2-3H3;4H,1H2,2-3H3
InChIKeyXNXMTZQHNPLRTQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds4

About N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide

N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide (PubChem CID 86674667) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide.

Molecular Properties

Compound NameN,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide
PubChem CID86674667
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide
SMILESC=CC(=O)N(C)C.C=CC(=O)N(CC)CC
InChIInChI=1S/C7H13NO.C5H9NO/c1-4-7(9)8(5-2)6-3;1-4-5(7)6(2)3/h4H,1,5-6H2,2-3H3;4H,1H2,2-3H3
InChIKeyXNXMTZQHNPLRTQ-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide?
The IUPAC name of N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide (CID 86674667) is N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide.
What is the SMILES notation for N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide?
The canonical SMILES for N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide is C=CC(=O)N(C)C.C=CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide?
The InChIKey is XNXMTZQHNPLRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H9NO/c1-4-7(9)8(5-2)6-3;1-4-5(7)6(2)3/h4H,1,5-6H2,2-3H3;4H,1H2,2-3H3.
What are the key properties of N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide?
N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylprop-2-enamide;N,N-dimethylprop-2-enamide is sourced from PubChem (CID 86674667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).