2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid

C17H38N4O5S — CID 153393107

IUPAC2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid
SMILESCC.CCCCCCSCNC(=O)CNC=O.CCNC(=O)CN.O=CO
InChIInChI=1S/C10H20N2O2S.C4H10N2O.C2H6.CH2O2/c1-2-3-4-5-6-15-9-12-10(14)7-11-8-13;1-2-6-4(7)3-5;1-2;2-1-3/h8H,2-7,9H2,1H3,(H,11,13)(H,12,14);2-3,5H2,1H3,(H,6,7);1-2H3;1H,(H,2,3)
InChIKeyAHUNDCGJWWADCO-UHFFFAOYSA-N
MW410.58 g/mol
LogP0.93
Rot. Bonds12

About 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid

2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid (PubChem CID 153393107) has the molecular formula C17H38N4O5S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid.

Molecular Properties

Compound Name2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid
PubChem CID153393107
Molecular FormulaC17H38N4O5S
Molecular Weight410.58 g/mol
Exact Mass410.26
IUPAC Name2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid
SMILESCC.CCCCCCSCNC(=O)CNC=O.CCNC(=O)CN.O=CO
InChIInChI=1S/C10H20N2O2S.C4H10N2O.C2H6.CH2O2/c1-2-3-4-5-6-15-9-12-10(14)7-11-8-13;1-2-6-4(7)3-5;1-2;2-1-3/h8H,2-7,9H2,1H3,(H,11,13)(H,12,14);2-3,5H2,1H3,(H,6,7);1-2H3;1H,(H,2,3)
InChIKeyAHUNDCGJWWADCO-UHFFFAOYSA-N
XLogP0.93
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 50.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 171092765
CID 171092765
N-ethyl-2-formamidoacetamide
CID 14481878
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-ethyl-2-(pentylamino)acetamide
CID 28569032
11-octadecylsulfanylundecanehydrazide
CID 18183822
N-ethyloctadecanamide;octadecanamide
CID 159879248
4-[(2-aminoacetyl)amino]-N-ethylbutanamide
CID 138468390
2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide
CID 144912619
4-pentylsulfanylbutanehydrazide
CID 107760917
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
formic acid;heptan-1-amine
CID 144828464

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid?
The IUPAC name of 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid (CID 153393107) is 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid.
What is the SMILES notation for 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid?
The canonical SMILES for 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid is CC.CCCCCCSCNC(=O)CNC=O.CCNC(=O)CN.O=CO.
What is the InChIKey of 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid?
The InChIKey is AHUNDCGJWWADCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S.C4H10N2O.C2H6.CH2O2/c1-2-3-4-5-6-15-9-12-10(14)7-11-8-13;1-2-6-4(7)3-5;1-2;2-1-3/h8H,2-7,9H2,1H3,(H,11,13)(H,12,14);2-3,5H2,1H3,(H,6,7);1-2H3;1H,(H,2,3).
What are the key properties of 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid?
2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid has a molecular weight of 410.58 g/mol, XLogP of 0.93, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid is sourced from PubChem (CID 153393107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).