N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide

C8H13N3O3 — CID 148824769

IUPACN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C8H13N3O3/c1-5(2)8(14)11-4-7(13)10-3-6(9)12/h1,3-4H2,2H3,(H2,9,12)(H,10,13)(H,11,14)
InChIKeyOSMMEHZKISNNDH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.72
Rot. Bonds5

About N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide

N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide (PubChem CID 148824769) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
PubChem CID148824769
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C8H13N3O3/c1-5(2)8(14)11-4-7(13)10-3-6(9)12/h1,3-4H2,2H3,(H2,9,12)(H,10,13)(H,11,14)
InChIKeyOSMMEHZKISNNDH-UHFFFAOYSA-N
XLogP-1.72
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
N-(3-Aminopropyl) methacrylamide
CID 2734954
N-(2-Amino-2-oxoethyl)-2-methylprop-2-enamide
CID 19076196
3-(2-Methylprop-2-enoylamino)propylazanium
CID 7018867
2-Methacrylamidoethyl-trimethylammonium chloride
CID 9855811
N'-methacryloyl-ethylenediamine
CID 10154062
Methacryloylglycylglycine
CID 10241886

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide (CID 148824769) is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The InChIKey is OSMMEHZKISNNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(2)8(14)11-4-7(13)10-3-6(9)12/h1,3-4H2,2H3,(H2,9,12)(H,10,13)(H,11,14).
What are the key properties of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide has a molecular weight of 199.21 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 148824769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).