N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide

C8H14N2O2 — CID 43616725

IUPACN-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-8(12)10(5-2)6-7(11)9-3/h4H,1,5-6H2,2-3H3,(H,9,11)
InChIKeyUSCBXCSCVNWGHI-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.23
Rot. Bonds4

About N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide

N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 43616725) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
PubChem CID43616725
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-8(12)10(5-2)6-7(11)9-3/h4H,1,5-6H2,2-3H3,(H,9,11)
InChIKeyUSCBXCSCVNWGHI-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-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

(E)-4-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 43578256
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N-ethyl-2-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 61450123
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
CID 55097076
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821374
N-ethyl-N-sulfanylprop-2-enamide
CID 154365527
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62832119
(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
CID 94170765
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide (CID 43616725) is N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide is C=CC(=O)N(CC)CC(=O)NC.
What is the InChIKey of N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is USCBXCSCVNWGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-8(12)10(5-2)6-7(11)9-3/h4H,1,5-6H2,2-3H3,(H,9,11).
What are the key properties of N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide?
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 43616725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).