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

C9H16N2O3 — CID 11981225

IUPACN-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC(C)O
InChIInChI=1S/C9H16N2O3/c1-6(2)9(14)11-5-8(13)10-4-7(3)12/h7,12H,1,4-5H2,2-3H3,(H,10,13)(H,11,14)
InChIKeyVZKBEZDJWDUUFH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.82
Rot. Bonds5

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

N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide (PubChem CID 11981225) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide
PubChem CID11981225
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC(C)O
InChIInChI=1S/C9H16N2O3/c1-6(2)9(14)11-5-8(13)10-4-7(3)12/h7,12H,1,4-5H2,2-3H3,(H,10,13)(H,11,14)
InChIKeyVZKBEZDJWDUUFH-UHFFFAOYSA-N
XLogP-0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.82
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide (CID 11981225) is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC(=O)NCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide?
The InChIKey is VZKBEZDJWDUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)9(14)11-5-8(13)10-4-7(3)12/h7,12H,1,4-5H2,2-3H3,(H,10,13)(H,11,14).
What are the key properties of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide?
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide has a molecular weight of 200.24 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 11981225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).