2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide

C9H19NO — CID 156800033

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(N)=O
InChIInChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKeyGHLZUHZBBNDWHW-OISRNESJSA-N
MW174.36 g/mol
LogP2.22
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide (PubChem CID 156800033) has the molecular formula C9H19NO and a molecular weight of 174.36 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide
PubChem CID156800033
Molecular FormulaC9H19NO
Molecular Weight174.36 g/mol
Exact Mass174.25
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(N)=O
InChIInChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKeyGHLZUHZBBNDWHW-OISRNESJSA-N
XLogP2.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 131878087
CID 131878087
methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosadeuteriotridecanoate
CID 131869393
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide
CID 172687458
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-tetrapentacontadeuteriohexacosane
CID 101036681
sodium 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoate
CID 90472108
[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-hydroxypropyl] 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoate
CID 173002982
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-one
CID 71751283
sodium 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoate
CID 172990096
1,1,2,2,3,3,4,4,4-nonadeuteriobutyl 2-(trideuteriomethyl)prop-2-enoate
CID 59100581
(3E)-2-deuterio-3-(1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexylidene)-2-methylbutanedioic acid
CID 10585415
tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium
CID 171703377
2,2,3,3,4,4,5,5,7,7,7-undecadeuterio-6-oxoheptanoic acid
CID 132990720

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide (CID 156800033) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(N)=O.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide?
The InChIKey is GHLZUHZBBNDWHW-OISRNESJSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide has a molecular weight of 174.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide is sourced from PubChem (CID 156800033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).