N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide

C7H13NO2 — CID 118137430

IUPACN-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)COC
InChIInChI=1S/C7H13NO2/c1-4-7(9)8-6(2)5-10-3/h4,6H,1,5H2,2-3H3,(H,8,9)/t6-/m0/s1
InChIKeyJRZUAZWPNQAZEO-LURJTMIESA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide

N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide (PubChem CID 118137430) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
PubChem CID118137430
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)COC
InChIInChI=1S/C7H13NO2/c1-4-7(9)8-6(2)5-10-3/h4,6H,1,5H2,2-3H3,(H,8,9)/t6-/m0/s1
InChIKeyJRZUAZWPNQAZEO-LURJTMIESA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-methoxypropan-2-yl]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

methyl 3-(prop-2-enoylamino)butanoate
CID 139498956
N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
1-(2-aminopropoxy)propan-2-amine;N-[1-[2-(prop-2-enoylamino)propoxy]propan-2-yl]prop-2-enamide;prop-2-enoyl chloride
CID 159026211
N-(5-trimethoxysilylpentan-2-yl)prop-2-enamide
CID 172553475
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide
CID 101217114
N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
CID 167837204
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
CID 172681063
CID 172681063
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
5-hydroxy-N-(1-methoxypropan-2-yl)pentanamide
CID 79199618

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide (CID 118137430) is N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide is C=CC(=O)N[C@@H](C)COC.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide?
The InChIKey is JRZUAZWPNQAZEO-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-7(9)8-6(2)5-10-3/h4,6H,1,5H2,2-3H3,(H,8,9)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide?
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide is sourced from PubChem (CID 118137430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).