N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine

C32H52N4O4 — CID 158350948

IUPACN,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(C)C(=O)C(=C)C.C=CCN(C)C(=O)C(=C)CC(C)=O.C=CCN(C)C(=O)C=C.C=CCN(C)CC=C
InChIInChI=1S/C10H15NO2.C8H13NO.C7H11NO.C7H13N/c1-5-6-11(4)10(13)8(2)7-9(3)12;1-5-6-9(4)8(10)7(2)3;1-4-6-8(3)7(9)5-2;1-4-6-8(3)7-5-2/h5H,1-2,6-7H2,3-4H3;5H,1-2,6H2,3-4H3;4-5H,1-2,6H2,3H3;4-5H,1-2,6-7H2,3H3
InChIKeyGSHSSJWDSLHFOG-UHFFFAOYSA-N
MW556.79 g/mol
LogP4.48
Rot. Bonds15

About N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine

N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 158350948) has the molecular formula C32H52N4O4 and a molecular weight of 556.79 g/mol. Its IUPAC name is N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine
PubChem CID158350948
Molecular FormulaC32H52N4O4
Molecular Weight556.79 g/mol
Exact Mass556.40
IUPAC NameN,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(C)C(=O)C(=C)C.C=CCN(C)C(=O)C(=C)CC(C)=O.C=CCN(C)C(=O)C=C.C=CCN(C)CC=C
InChIInChI=1S/C10H15NO2.C8H13NO.C7H11NO.C7H13N/c1-5-6-11(4)10(13)8(2)7-9(3)12;1-5-6-9(4)8(10)7(2)3;1-4-6-8(3)7(9)5-2;1-4-6-8(3)7-5-2/h5H,1-2,6-7H2,3-4H3;5H,1-2,6H2,3-4H3;4-5H,1-2,6H2,3H3;4-5H,1-2,6-7H2,3H3
InChIKeyGSHSSJWDSLHFOG-UHFFFAOYSA-N
XLogP4.48
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine (CID 158350948) is N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine is C=CCN(C)C(=O)C(=C)C.C=CCN(C)C(=O)C(=C)CC(C)=O.C=CCN(C)C(=O)C=C.C=CCN(C)CC=C.
What is the InChIKey of N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is GSHSSJWDSLHFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C8H13NO.C7H11NO.C7H13N/c1-5-6-11(4)10(13)8(2)7-9(3)12;1-5-6-9(4)8(10)7(2)3;1-4-6-8(3)7(9)5-2;1-4-6-8(3)7-5-2/h5H,1-2,6-7H2,3-4H3;5H,1-2,6H2,3-4H3;4-5H,1-2,6H2,3H3;4-5H,1-2,6-7H2,3H3.
What are the key properties of N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine?
N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 556.79 g/mol, XLogP of 4.48, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 158350948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).