2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide

C10H16N2O3 — CID 170637320

IUPAC2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCC=O
InChIInChI=1S/C10H16N2O3/c1-4-8(14)12-10(2,3)9(15)11-6-5-7-13/h4,7H,1,5-6H2,2-3H3,(H,11,15)(H,12,14)
InChIKeyWKZPFUXBPXUIOZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds6

About 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide

2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide (PubChem CID 170637320) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide
PubChem CID170637320
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCC=O
InChIInChI=1S/C10H16N2O3/c1-4-8(14)12-10(2,3)9(15)11-6-5-7-13/h4,7H,1,5-6H2,2-3H3,(H,11,15)(H,12,14)
InChIKeyWKZPFUXBPXUIOZ-UHFFFAOYSA-N
XLogP-0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acrylamido-2-methylpropoyldimethylammonium chloride
CID 129675493
2-methyl-N-[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]ethyl]-2-(prop-2-enoylamino)propanamide
CID 20080696
N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide
CID 20696244
N-(N',N'-dimethyl-beta-aminoethyl)-2-methyl-2-acrylamidopropanoic acid amide
CID 54443355
N-[2-(tert-butylamino)-2-oxoethyl]prop-2-enamide
CID 88288701
2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide
CID 89118001
2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide
CID 91498866
N-propan-2-yl-2-(prop-2-enoylamino)propanamide
CID 104391713
Trimethyl-[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]ethyl]azanium
CID 118000061
N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide
CID 126574850
N-[2-[2-(2-formylprop-2-enylamino)ethyl-prop-2-enoylamino]ethyl]prop-2-enamide
CID 130306232
[2,2-Dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] formate
CID 134254854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide?
The IUPAC name of 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide (CID 170637320) is 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide is C=CC(=O)NC(C)(C)C(=O)NCCC=O.
What is the InChIKey of 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide?
The InChIKey is WKZPFUXBPXUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-8(14)12-10(2,3)9(15)11-6-5-7-13/h4,7H,1,5-6H2,2-3H3,(H,11,15)(H,12,14).
What are the key properties of 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide?
2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxopropyl)-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 170637320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).