N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide

C11H18N2O3 — CID 149038162

IUPACN-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide
SMILESC=C(C)CNC(=O)C(O)CNC(=O)C(=C)C
InChIInChI=1S/C11H18N2O3/c1-7(2)5-12-11(16)9(14)6-13-10(15)8(3)4/h9,14H,1,3,5-6H2,2,4H3,(H,12,16)(H,13,15)
InChIKeyQHAPIDPVVDCARH-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.27
Rot. Bonds6

About N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide

N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide (PubChem CID 149038162) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide
PubChem CID149038162
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide
SMILESC=C(C)CNC(=O)C(O)CNC(=O)C(=C)C
InChIInChI=1S/C11H18N2O3/c1-7(2)5-12-11(16)9(14)6-13-10(15)8(3)4/h9,14H,1,3,5-6H2,2,4H3,(H,12,16)(H,13,15)
InChIKeyQHAPIDPVVDCARH-UHFFFAOYSA-N
XLogP-0.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide (CID 149038162) is N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide is C=C(C)CNC(=O)C(O)CNC(=O)C(=C)C.
What is the InChIKey of N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide?
The InChIKey is QHAPIDPVVDCARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)5-12-11(16)9(14)6-13-10(15)8(3)4/h9,14H,1,3,5-6H2,2,4H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide?
N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide has a molecular weight of 226.28 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide is sourced from PubChem (CID 149038162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).