2-[acetyl(deuterio)amino]-N-methylpropanamide

C6H12N2O2 — CID 23278344

IUPAC2-[acetyl(deuterio)amino]-N-methylpropanamide
SMILES[2H]N(C(C)=O)C(C)C(=O)NC
InChIInChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/i/hD
InChIKeyVHCVPWSUVMHJLL-DYCDLGHISA-N
MW145.18 g/mol
LogP-0.74
Rot. Bonds2

About 2-[acetyl(deuterio)amino]-N-methylpropanamide

2-[acetyl(deuterio)amino]-N-methylpropanamide (PubChem CID 23278344) has the molecular formula C6H12N2O2 and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-[acetyl(deuterio)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[acetyl(deuterio)amino]-N-methylpropanamide
PubChem CID23278344
Molecular FormulaC6H12N2O2
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name2-[acetyl(deuterio)amino]-N-methylpropanamide
SMILES[2H]N(C(C)=O)C(C)C(=O)NC
InChIInChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/i/hD
InChIKeyVHCVPWSUVMHJLL-DYCDLGHISA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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-(chloroamino)-N-methylpropanamide
CID 19827989
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
(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
N-methylacetamide;propan-2-ylazanium
CID 158450921
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
N-methyl-2-(methylcarbamothioylamino)propanamide
CID 115588003
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
N',2-dimethylpropanediamide
CID 19785845
2,3-dimethyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 76993196
[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 59423610

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(deuterio)amino]-N-methylpropanamide?
The IUPAC name of 2-[acetyl(deuterio)amino]-N-methylpropanamide (CID 23278344) is 2-[acetyl(deuterio)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[acetyl(deuterio)amino]-N-methylpropanamide?
The canonical SMILES for 2-[acetyl(deuterio)amino]-N-methylpropanamide is [2H]N(C(C)=O)C(C)C(=O)NC.
What is the InChIKey of 2-[acetyl(deuterio)amino]-N-methylpropanamide?
The InChIKey is VHCVPWSUVMHJLL-DYCDLGHISA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/i/hD.
What are the key properties of 2-[acetyl(deuterio)amino]-N-methylpropanamide?
2-[acetyl(deuterio)amino]-N-methylpropanamide has a molecular weight of 145.18 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(deuterio)amino]-N-methylpropanamide is sourced from PubChem (CID 23278344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).