3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide

C23H42N2O7 — CID 138721605

IUPAC3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
SMILESCCC(C)C(=O)CCOCCNC(=O)CCOCCC(=O)NCCOCCC(=O)C(C)C
InChIInChI=1S/C23H42N2O7/c1-5-19(4)21(27)7-13-32-17-11-25-23(29)9-15-30-14-8-22(28)24-10-16-31-12-6-20(26)18(2)3/h18-19H,5-17H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyIPSSIPQXOFYDDN-UHFFFAOYSA-N
MW458.60 g/mol
LogP1.67
Rot. Bonds21

About 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide

3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide (PubChem CID 138721605) has the molecular formula C23H42N2O7 and a molecular weight of 458.60 g/mol. Its IUPAC name is 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
PubChem CID138721605
Molecular FormulaC23H42N2O7
Molecular Weight458.60 g/mol
Exact Mass458.30
IUPAC Name3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
SMILESCCC(C)C(=O)CCOCCNC(=O)CCOCCC(=O)NCCOCCC(=O)C(C)C
InChIInChI=1S/C23H42N2O7/c1-5-19(4)21(27)7-13-32-17-11-25-23(29)9-15-30-14-8-22(28)24-10-16-31-12-6-20(26)18(2)3/h18-19H,5-17H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyIPSSIPQXOFYDDN-UHFFFAOYSA-N
XLogP1.67
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 51.67
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

2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 138721623
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 71244238
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
CID 121480756
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
(2S)-2-acetamido-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 157395276
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169159102

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide?
The IUPAC name of 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide (CID 138721605) is 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide.
What is the SMILES notation for 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide?
The canonical SMILES for 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide is CCC(C)C(=O)CCOCCNC(=O)CCOCCC(=O)NCCOCCC(=O)C(C)C.
What is the InChIKey of 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide?
The InChIKey is IPSSIPQXOFYDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O7/c1-5-19(4)21(27)7-13-32-17-11-25-23(29)9-15-30-14-8-22(28)24-10-16-31-12-6-20(26)18(2)3/h18-19H,5-17H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide?
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide has a molecular weight of 458.60 g/mol, XLogP of 1.67, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide is sourced from PubChem (CID 138721605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).