2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide

C38H74N6O15 — CID 176553821

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide
SMILESCCNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOCCOCC(=O)NCCCCC(NC(=O)CN(C)C(C)=O)C(N)=O
InChIInChI=1S/C38H74N6O15/c1-4-40-10-13-51-16-18-54-20-22-56-24-26-58-28-27-57-25-23-55-21-19-53-17-15-50-12-8-35(46)42-11-14-52-29-30-59-32-37(48)41-9-6-5-7-34(38(39)49)43-36(47)31-44(3)33(2)45/h34,40H,4-32H2,1-3H3,(H2,39,49)(H,41,48)(H,42,46)(H,43,47)
InChIKeyKEQXHVORTPJKNI-UHFFFAOYSA-N
MW855.04 g/mol
LogP-2.00
Rot. Bonds45

About 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide

2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide (PubChem CID 176553821) has the molecular formula C38H74N6O15 and a molecular weight of 855.04 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide
PubChem CID176553821
Molecular FormulaC38H74N6O15
Molecular Weight855.04 g/mol
Exact Mass854.52
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide
SMILESCCNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOCCOCC(=O)NCCCCC(NC(=O)CN(C)C(C)=O)C(N)=O
InChIInChI=1S/C38H74N6O15/c1-4-40-10-13-51-16-18-54-20-22-56-24-26-58-28-27-57-25-23-55-21-19-53-17-15-50-12-8-35(46)42-11-14-52-29-30-59-32-37(48)41-9-6-5-7-34(38(39)49)43-36(47)31-44(3)33(2)45/h34,40H,4-32H2,1-3H3,(H2,39,49)(H,41,48)(H,42,46)(H,43,47)
InChIKeyKEQXHVORTPJKNI-UHFFFAOYSA-N
XLogP-2.00
TPSA255.03 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds45
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.04
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide with MolForge

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Related Compounds

N-[1-amino-1-oxo-6-[3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]hexan-2-yl]dodecanamide
CID 87060981
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
5-[2-[2-[2-[2-[2-[2-[[1-carboxy-5-(propanoylamino)pentyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-methyl-5-oxopentanoic acid
CID 88913068
N'-[(2S)-6-amino-1-[[(5S)-6-amino-5-(aminomethylamino)-6-oxohexyl]amino]-1-oxohexan-2-yl]-N-[2-[2-[2-[2-[2-[2-(aminomethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]pentanediamide
CID 58858895
17-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-6-[bis(carboxymethyl)amino]-2-[[(2S)-4-carboxy-2-methylbutanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-17-oxoheptadecanoic acid
CID 89367824
(2S)-2-amino-5-[2-[2-[2-[2-[2-[2-[[(5S)-5-hydrazinyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 142518789
18-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-6-[bis(carboxymethyl)amino]-2-[[(2S)-3-carboxy-2-(methylamino)propanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
CID 89367813
16-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-6-[bis(carboxymethyl)amino]-2-[[(2S)-4-carboxy-2-(methylamino)butanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 89367881
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89122163
5-[[2-[[2-[[6-amino-6-oxo-5-[(2-propoxyacetyl)amino]hexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-(butanoylamino)-5-oxopentanoic acid
CID 170149544
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid
CID 142030555
(2S)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 90261192

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide (CID 176553821) is 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide is CCNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOCCOCC(=O)NCCCCC(NC(=O)CN(C)C(C)=O)C(N)=O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide?
The InChIKey is KEQXHVORTPJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74N6O15/c1-4-40-10-13-51-16-18-54-20-22-56-24-26-58-28-27-57-25-23-55-21-19-53-17-15-50-12-8-35(46)42-11-14-52-29-30-59-32-37(48)41-9-6-5-7-34(38(39)49)43-36(47)31-44(3)33(2)45/h34,40H,4-32H2,1-3H3,(H2,39,49)(H,41,48)(H,42,46)(H,43,47).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide?
2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide has a molecular weight of 855.04 g/mol, XLogP of -2.00, 45 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-6-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide is sourced from PubChem (CID 176553821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).