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

C9H16N2O3 — CID 140967040

IUPACN-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(C)O
InChIInChI=1S/C9H16N2O3/c1-4-9(14)11(3)6-8(13)10-5-7(2)12/h4,7,12H,1,5-6H2,2-3H3,(H,10,13)
InChIKeyKNEKYRUWRFLKQQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.87
Rot. Bonds5

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

N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 140967040) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID140967040
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(C)O
InChIInChI=1S/C9H16N2O3/c1-4-9(14)11(3)6-8(13)10-5-7(2)12/h4,7,12H,1,5-6H2,2-3H3,(H,10,13)
InChIKeyKNEKYRUWRFLKQQ-UHFFFAOYSA-N
XLogP-0.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-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

N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide
CID 166406690
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406819
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N-methyl-N-[2-oxo-2-[[4-(trifluoromethyl)thiophen-3-yl]methylamino]ethyl]prop-2-enamide
CID 166410386
N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 154801047

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide (CID 140967040) is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)NCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is KNEKYRUWRFLKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-9(14)11(3)6-8(13)10-5-7(2)12/h4,7,12H,1,5-6H2,2-3H3,(H,10,13).
What are the key properties of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 200.24 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 140967040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).