N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide

C9H16N2O2 — CID 78907143

IUPACN-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide
SMILESCC=CC(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-9(13)11(7(2)3)6-8(10)12/h4-5,7H,6H2,1-3H3,(H2,10,12)
InChIKeyYZAXPPCHFDWGKG-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.28
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide

N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide (PubChem CID 78907143) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide
PubChem CID78907143
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide
SMILESCC=CC(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-9(13)11(7(2)3)6-8(10)12/h4-5,7H,6H2,1-3H3,(H2,10,12)
InChIKeyYZAXPPCHFDWGKG-UHFFFAOYSA-N
XLogP0.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-but-2-enoyl]-propan-2-ylamino]acetic acid
CID 60831010
N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
CID 112729409
methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate
CID 112616986
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide
CID 61154043
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380
N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
CID 43578807
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
CID 79256681
4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide
CID 103154388

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide (CID 78907143) is N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide is CC=CC(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide?
The InChIKey is YZAXPPCHFDWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-9(13)11(7(2)3)6-8(10)12/h4-5,7H,6H2,1-3H3,(H2,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide?
N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.28, 4 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-propan-2-ylbut-2-enamide is sourced from PubChem (CID 78907143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).