N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide

C9H16N2O2 — CID 54143897

IUPACN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C9H16N2O2/c1-4-9(13)11(5-7(2)3)6-8(10)12/h4,7H,1,5-6H2,2-3H3,(H2,10,12)
InChIKeyOCZHBOKOGAIFII-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.14
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 54143897) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID54143897
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C9H16N2O2/c1-4-9(13)11(5-7(2)3)6-8(10)12/h4,7H,1,5-6H2,2-3H3,(H2,10,12)
InChIKeyOCZHBOKOGAIFII-UHFFFAOYSA-N
XLogP0.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acrylamido-2-methylpropoyldimethylammonium chloride
CID 129675493
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
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N~1~-allyl-N~2~-isopentylethanediamide
CID 21369924
N-(2-methylpropyl)prop-2-enamide;prop-2-enamide
CID 17786288
N-[2-(2-methylpropylamino)ethyl]prop-2-enamide
CID 18325590
2-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
CID 18793256
2-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide
CID 18793257
2-(1-Ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
CID 18793263
2-(1-Ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide
CID 18793264
N-[2-[ethyl(propyl)amino]ethyl]prop-2-enamide
CID 19756697
N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 19970966
N-[2-[2-[2-[2-(2-methylpropylamino)ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide
CID 21131066

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide (CID 54143897) is N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide is C=CC(=O)N(CC(N)=O)CC(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is OCZHBOKOGAIFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-9(13)11(5-7(2)3)6-8(10)12/h4,7H,1,5-6H2,2-3H3,(H2,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide?
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 54143897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).