N-(2-hydroxypropyl)-2-methylprop-2-enamide

C14H26N2O4 — CID 159380399

IUPACN-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)O.C=C(C)C(=O)NCC(C)O
InChIInChI=1S/2C7H13NO2/c2*1-5(2)7(10)8-4-6(3)9/h2*6,9H,1,4H2,2-3H3,(H,8,10)
InChIKeyLKVGZQMHSNFNIM-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.12
Rot. Bonds6

About N-(2-hydroxypropyl)-2-methylprop-2-enamide

N-(2-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 159380399) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID159380399
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)O.C=C(C)C(=O)NCC(C)O
InChIInChI=1S/2C7H13NO2/c2*1-5(2)7(10)8-4-6(3)9/h2*6,9H,1,4H2,2-3H3,(H,8,10)
InChIKeyLKVGZQMHSNFNIM-UHFFFAOYSA-N
XLogP0.12
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
CID 89088591
1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 156779688
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986038
ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986037
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-hydroxypropyl)-2-methylprop-2-enamide (CID 159380399) is N-(2-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(C)O.C=C(C)C(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is LKVGZQMHSNFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13NO2/c2*1-5(2)7(10)8-4-6(3)9/h2*6,9H,1,4H2,2-3H3,(H,8,10).
What are the key properties of N-(2-hydroxypropyl)-2-methylprop-2-enamide?
N-(2-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 286.37 g/mol, XLogP of 0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 159380399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).