bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide

C9H14N2O6 — CID 158308072

IUPACbis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide
SMILESCN(C)CC(=O)NCCC=O.O=C=O.O=C=O
InChIInChI=1S/C7H14N2O2.2CO2/c1-9(2)6-7(11)8-4-3-5-10;2*2-1-3/h5H,3-4,6H2,1-2H3,(H,8,11);;
InChIKeyGNIKZEFFWJHWOH-UHFFFAOYSA-N
MW246.22 g/mol
LogP-1.91
Rot. Bonds5

About bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide

bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide (PubChem CID 158308072) has the molecular formula C9H14N2O6 and a molecular weight of 246.22 g/mol. Its IUPAC name is bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide.

Molecular Properties

Compound Namebis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide
PubChem CID158308072
Molecular FormulaC9H14N2O6
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Namebis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide
SMILESCN(C)CC(=O)NCCC=O.O=C=O.O=C=O
InChIInChI=1S/C7H14N2O2.2CO2/c1-9(2)6-7(11)8-4-3-5-10;2*2-1-3/h5H,3-4,6H2,1-2H3,(H,8,11);;
InChIKeyGNIKZEFFWJHWOH-UHFFFAOYSA-N
XLogP-1.91
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
(2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide
CID 72725793
2-amino-N-[2-[methyl(2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 19855158
N-[2-[[2-[2-(methylamino)ethyl-propanoylamino]acetyl]amino]ethyl]-N-(2-oxoethyl)propanamide
CID 20605466
2-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254696
3-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254811
2-[4,7-Bis(carboxylatomethyl)-10-[2-oxo-2-(3-oxopropylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 21305870
2-[2-[Bis(carboxylatomethyl)amino]ethyl-[2-[carboxylatomethyl-[2-oxo-2-(3-oxopropylamino)ethyl]amino]ethyl]amino]acetate
CID 21305875
N-methyl-N-[2-(3-oxopropylamino)ethyl]acetamide
CID 23084431
(2S)-2-amino-N-[2-[methyl(2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 53822806
N-(2-acetamido-3-oxopropyl)acetamide
CID 53823105
N-[2-(dimethylamino)-3-oxopropyl]acetamide
CID 54092857

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide?
The IUPAC name of bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide (CID 158308072) is bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide.
What is the SMILES notation for bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide?
The canonical SMILES for bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide is CN(C)CC(=O)NCCC=O.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide?
The InChIKey is GNIKZEFFWJHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2CO2/c1-9(2)6-7(11)8-4-3-5-10;2*2-1-3/h5H,3-4,6H2,1-2H3,(H,8,11);;.
What are the key properties of bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide?
bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide has a molecular weight of 246.22 g/mol, XLogP of -1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide is sourced from PubChem (CID 158308072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).