(2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide

C25H48N2O9 — CID 161407462

IUPAC(2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide
SMILESCNC(=O)[C@@H](CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)CN)C(C)C
InChIInChI=1S/C25H48N2O9/c1-21(2)24(25(30)27-3)19-22(28)6-8-32-10-12-34-14-16-36-18-17-35-15-13-33-11-9-31-7-4-5-23(29)20-26/h21,24H,4-20,26H2,1-3H3,(H,27,30)/t24-/m0/s1
InChIKeyVXJVIMBGATYWKU-DEOSSOPVSA-N
MW520.66 g/mol
LogP0.76
Rot. Bonds27

About (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide

(2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide (PubChem CID 161407462) has the molecular formula C25H48N2O9 and a molecular weight of 520.66 g/mol. Its IUPAC name is (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide.

Molecular Properties

Compound Name(2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide
PubChem CID161407462
Molecular FormulaC25H48N2O9
Molecular Weight520.66 g/mol
Exact Mass520.34
IUPAC Name(2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide
SMILESCNC(=O)[C@@H](CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)CN)C(C)C
InChIInChI=1S/C25H48N2O9/c1-21(2)24(25(30)27-3)19-22(28)6-8-32-10-12-34-14-16-36-18-17-35-15-13-33-11-9-31-7-4-5-23(29)20-26/h21,24H,4-20,26H2,1-3H3,(H,27,30)/t24-/m0/s1
InChIKeyVXJVIMBGATYWKU-DEOSSOPVSA-N
XLogP0.76
TPSA144.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
[4-[[(2S)-2-[[(2S)-6-[2-(5-iodo-4-oxopentoxy)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]propanoyl]amino]phenyl]methyl N-(2-aminoethyl)carbamate
CID 147942510
7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
CID 157073137
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 158884270
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
5-methyl-1-(5-methyl-3-oxohexoxy)hexan-3-one
CID 57139233
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
(2S)-N-[(2S)-4-[4-(hydroxymethyl)phenyl]-3-oxobutan-2-yl]-6-(2-methoxyethoxy)-4-oxo-2-propan-2-ylhexanamide
CID 58473134
[4-[[(2S)-2-[[(2S)-6-[2-(2-azidoethoxy)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]propanoyl]amino]phenyl]methyl N-(2-aminoethyl)carbamate
CID 157398042
1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one
CID 161342010
3-(5-iodo-4-oxopentoxy)-N-methylpropanamide
CID 159105630

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide?
The IUPAC name of (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide (CID 161407462) is (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide.
What is the SMILES notation for (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide?
The canonical SMILES for (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide is CNC(=O)[C@@H](CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)CN)C(C)C.
What is the InChIKey of (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide?
The InChIKey is VXJVIMBGATYWKU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H48N2O9/c1-21(2)24(25(30)27-3)19-22(28)6-8-32-10-12-34-14-16-36-18-17-35-15-13-33-11-9-31-7-4-5-23(29)20-26/h21,24H,4-20,26H2,1-3H3,(H,27,30)/t24-/m0/s1.
What are the key properties of (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide?
(2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide has a molecular weight of 520.66 g/mol, XLogP of 0.76, 27 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[2-[2-[2-[2-[2-(5-amino-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-4-oxo-2-propan-2-ylhexanamide is sourced from PubChem (CID 161407462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).