6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

C32H61F3N10O9 — CID 157062468

IUPAC6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCC(CCCCN)C(=O)NCCOCCOCCOCCN=[N+]=[N-].CC(CCCCNC(=O)C(F)(F)F)C(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C17H30F3N5O5.C15H31N5O4/c1-14(4-2-3-5-23-16(27)17(18,19)20)15(26)22-6-8-28-10-12-30-13-11-29-9-7-24-25-21;1-14(4-2-3-5-16)15(21)18-6-8-22-10-12-24-13-11-23-9-7-19-20-17/h14H,2-13H2,1H3,(H,22,26)(H,23,27);14H,2-13,16H2,1H3,(H,18,21)
InChIKeyABMHNVCTIXEHIO-UHFFFAOYSA-N
MW786.89 g/mol
LogP3.18
Rot. Bonds35

About 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 157062468) has the molecular formula C32H61F3N10O9 and a molecular weight of 786.89 g/mol. Its IUPAC name is 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID157062468
Molecular FormulaC32H61F3N10O9
Molecular Weight786.89 g/mol
Exact Mass786.46
IUPAC Name6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCC(CCCCN)C(=O)NCCOCCOCCOCCN=[N+]=[N-].CC(CCCCNC(=O)C(F)(F)F)C(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C17H30F3N5O5.C15H31N5O4/c1-14(4-2-3-5-23-16(27)17(18,19)20)15(26)22-6-8-28-10-12-30-13-11-29-9-7-24-25-21;1-14(4-2-3-5-16)15(21)18-6-8-22-10-12-24-13-11-23-9-7-19-20-17/h14H,2-13H2,1H3,(H,22,26)(H,23,27);14H,2-13,16H2,1H3,(H,18,21)
InChIKeyABMHNVCTIXEHIO-UHFFFAOYSA-N
XLogP3.18
TPSA266.22 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.89
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-[2-[[2-(2-aminoethoxy)acetyl]amino]ethoxy]acetyl]amino]-6-[[2-(2-azidoethoxy)acetyl]amino]-N-[2-(2-azidoethoxy)ethyl]hexanamide
CID 177101607
tert-butyl N-[(5S)-9-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-methyl-6-oxononyl]carbamate
CID 161302032
(2S,3R,4S,5R)-N,N'-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158182
(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158118
tert-butyl 6-[3-[2-(2-azidoethoxy)ethoxy]propanoylamino]-2-[4-[3-[2-(2-azidoethoxy)ethoxy]propanoylamino]butanoylamino]hexanoate
CID 175464018
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]propanamide;tris(2,2,2-trifluoroacetic acid)
CID 175696123
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate
CID 175081117
4-amino-N,N'-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170098519
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 104686692
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 157062468) is 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is CC(CCCCN)C(=O)NCCOCCOCCOCCN=[N+]=[N-].CC(CCCCNC(=O)C(F)(F)F)C(=O)NCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is ABMHNVCTIXEHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N5O5.C15H31N5O4/c1-14(4-2-3-5-23-16(27)17(18,19)20)15(26)22-6-8-28-10-12-30-13-11-29-9-7-24-25-21;1-14(4-2-3-5-16)15(21)18-6-8-22-10-12-24-13-11-23-9-7-19-20-17/h14H,2-13H2,1H3,(H,22,26)(H,23,27);14H,2-13,16H2,1H3,(H,18,21).
What are the key properties of 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 786.89 g/mol, XLogP of 3.18, 35 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 157062468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).