2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide

C19H36N2O7 — CID 89404001

IUPAC2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
SMILESCCOCCOCC(=O)NCCOCCOCC(=O)NCCC[C@H](C)C(C)=O
InChIInChI=1S/C19H36N2O7/c1-4-25-10-12-27-15-19(24)21-8-9-26-11-13-28-14-18(23)20-7-5-6-16(2)17(3)22/h16H,4-15H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyLAIFTVDVYWIBIU-INIZCTEOSA-N
MW404.50 g/mol
LogP0.31
Rot. Bonds19

About 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide

2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide (PubChem CID 89404001) has the molecular formula C19H36N2O7 and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
PubChem CID89404001
Molecular FormulaC19H36N2O7
Molecular Weight404.50 g/mol
Exact Mass404.25
IUPAC Name2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
SMILESCCOCCOCC(=O)NCCOCCOCC(=O)NCCC[C@H](C)C(C)=O
InChIInChI=1S/C19H36N2O7/c1-4-25-10-12-27-15-19(24)21-8-9-26-11-13-28-14-18(23)20-7-5-6-16(2)17(3)22/h16H,4-15H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyLAIFTVDVYWIBIU-INIZCTEOSA-N
XLogP0.31
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-[2-[[2-[2-(4-oxononoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 157081898
2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide
CID 160651898
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-(4-oxo-5-propoxypentoxy)ethoxy]acetamide
CID 158573658
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518
6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide
CID 177221856
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155402187
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
18-[[(1S)-1-carboxy-4-[2-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118011466
16-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 118011431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide?
The IUPAC name of 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide (CID 89404001) is 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide.
What is the SMILES notation for 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide?
The canonical SMILES for 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide is CCOCCOCC(=O)NCCOCCOCC(=O)NCCC[C@H](C)C(C)=O.
What is the InChIKey of 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide?
The InChIKey is LAIFTVDVYWIBIU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H36N2O7/c1-4-25-10-12-27-15-19(24)21-8-9-26-11-13-28-14-18(23)20-7-5-6-16(2)17(3)22/h16H,4-15H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide?
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide has a molecular weight of 404.50 g/mol, XLogP of 0.31, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide is sourced from PubChem (CID 89404001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).