6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen

C9H21N3O3 — CID 159782051

IUPAC6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen
SMILESCC(CCCCNC(=O)CON)C(N)=O.[H][H]
InChIInChI=1S/C9H19N3O3.H2/c1-7(9(10)14)4-2-3-5-12-8(13)6-15-11;/h7H,2-6,11H2,1H3,(H2,10,14)(H,12,13);1H
InChIKeyNHMDEDDMDGNMAT-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.47
Rot. Bonds8

About 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen

6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen (PubChem CID 159782051) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen.

Molecular Properties

Compound Name6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen
PubChem CID159782051
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen
SMILESCC(CCCCNC(=O)CON)C(N)=O.[H][H]
InChIInChI=1S/C9H19N3O3.H2/c1-7(9(10)14)4-2-3-5-12-8(13)6-15-11;/h7H,2-6,11H2,1H3,(H2,10,14)(H,12,13);1H
InChIKeyNHMDEDDMDGNMAT-UHFFFAOYSA-N
XLogP-0.47
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-6-[(2-methyl-3-sulfanylpropanoyl)amino]hexanamide
CID 90324114
6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide
CID 175919267
2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138021
ethane;2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138020
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
6-[[2-[3-acetamidopropanoyl-[2-[(6-amino-5-methyl-6-oxohexyl)amino]-2-oxoethyl]amino]acetyl]amino]-2-methylhexanamide
CID 90775563
18-[[(1S)-4-[2-[2-[2-[[(1S)-4-[[(1S)-4-[[(5S)-6-amino-5-methyl-6-oxohexyl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118610094
6-[(2-bromoacetyl)amino]-2-methylhexanoic acid
CID 118167390
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-(methylamino)-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropanoic acid
CID 147492080
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
(2S)-2,6-bis[[2-(2-aminoethoxy)acetyl]amino]-N-[(2S)-6-[[2-(2-aminoethoxy)acetyl]amino]-1-(2-aminooxyethylamino)-1-oxohexan-2-yl]hexanamide
CID 129175533

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen?
The IUPAC name of 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen (CID 159782051) is 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen.
What is the SMILES notation for 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen?
The canonical SMILES for 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen is CC(CCCCNC(=O)CON)C(N)=O.[H][H].
What is the InChIKey of 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen?
The InChIKey is NHMDEDDMDGNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3.H2/c1-7(9(10)14)4-2-3-5-12-8(13)6-15-11;/h7H,2-6,11H2,1H3,(H2,10,14)(H,12,13);1H.
What are the key properties of 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen?
6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen has a molecular weight of 219.28 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen is sourced from PubChem (CID 159782051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).