N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide

C17H28N2O4 — CID 88511871

IUPACN-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)C=O.C=CC(=O)NCC(C)(C)C=O
InChIInChI=1S/C9H15NO2.C8H13NO2/c1-7(2)8(12)10-5-9(3,4)6-11;1-4-7(11)9-5-8(2,3)6-10/h6H,1,5H2,2-4H3,(H,10,12);4,6H,1,5H2,2-3H3,(H,9,11)
InChIKeySJGCYANRNAWNPZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.42
Rot. Bonds8

About N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide

N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide (PubChem CID 88511871) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide
PubChem CID88511871
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)C=O.C=CC(=O)NCC(C)(C)C=O
InChIInChI=1S/C9H15NO2.C8H13NO2/c1-7(2)8(12)10-5-9(3,4)6-11;1-4-7(11)9-5-8(2,3)6-10/h6H,1,5H2,2-4H3,(H,10,12);4,6H,1,5H2,2-3H3,(H,9,11)
InChIKeySJGCYANRNAWNPZ-UHFFFAOYSA-N
XLogP1.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide?
The IUPAC name of N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide (CID 88511871) is N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide?
The canonical SMILES for N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide is C=C(C)C(=O)NCC(C)(C)C=O.C=CC(=O)NCC(C)(C)C=O.
What is the InChIKey of N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide?
The InChIKey is SJGCYANRNAWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C8H13NO2/c1-7(2)8(12)10-5-9(3,4)6-11;1-4-7(11)9-5-8(2,3)6-10/h6H,1,5H2,2-4H3,(H,10,12);4,6H,1,5H2,2-3H3,(H,9,11).
What are the key properties of N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide?
N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide has a molecular weight of 324.42 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide;N-(2,2-dimethyl-3-oxopropyl)prop-2-enamide is sourced from PubChem (CID 88511871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).