2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide

C8H14N2O2 — CID 23064653

IUPAC2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-5(2)7(11)10-6(3)8(12)9-4/h6H,1H2,2-4H3,(H,9,12)(H,10,11)
InChIKeyTXIDLXMONDDCPT-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.19
Rot. Bonds3

About 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide

2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide (PubChem CID 23064653) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
PubChem CID23064653
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-5(2)7(11)10-6(3)8(12)9-4/h6H,1H2,2-4H3,(H,9,12)(H,10,11)
InChIKeyTXIDLXMONDDCPT-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 76993196
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
2-(chloroamino)-N-methylpropanamide
CID 19827989
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
N-methyl-2-(methylcarbamothioylamino)propanamide
CID 115588003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide (CID 23064653) is 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide is C=C(C)C(=O)NC(C)C(=O)NC.
What is the InChIKey of 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide?
The InChIKey is TXIDLXMONDDCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)7(11)10-6(3)8(12)9-4/h6H,1H2,2-4H3,(H,9,12)(H,10,11).
What are the key properties of 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide?
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide is sourced from PubChem (CID 23064653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).