3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide

C19H36N2O7 — CID 145418064

IUPAC3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
SMILESCCC(C)CC(=O)NCC(=O)NCCOCCOCCOCCOCCC=O
InChIInChI=1S/C19H36N2O7/c1-3-17(2)15-18(23)21-16-19(24)20-5-8-26-10-12-28-14-13-27-11-9-25-7-4-6-22/h6,17H,3-5,7-16H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyNFCJFLFLMZOMEB-UHFFFAOYSA-N
MW404.50 g/mol
LogP0.31
Rot. Bonds20

About 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide

3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide (PubChem CID 145418064) has the molecular formula C19H36N2O7 and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
PubChem CID145418064
Molecular FormulaC19H36N2O7
Molecular Weight404.50 g/mol
Exact Mass404.25
IUPAC Name3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
SMILESCCC(C)CC(=O)NCC(=O)NCCOCCOCCOCCOCCC=O
InChIInChI=1S/C19H36N2O7/c1-3-17(2)15-18(23)21-16-19(24)20-5-8-26-10-12-28-14-13-27-11-9-25-7-4-6-22/h6,17H,3-5,7-16H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyNFCJFLFLMZOMEB-UHFFFAOYSA-N
XLogP0.31
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 177342211
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
CID 114876985
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-hydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid;propane
CID 171541655
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide (CID 145418064) is 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide is CCC(C)CC(=O)NCC(=O)NCCOCCOCCOCCOCCC=O.
What is the InChIKey of 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide?
The InChIKey is NFCJFLFLMZOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O7/c1-3-17(2)15-18(23)21-16-19(24)20-5-8-26-10-12-28-14-13-27-11-9-25-7-4-6-22/h6,17H,3-5,7-16H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide?
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide has a molecular weight of 404.50 g/mol, XLogP of 0.31, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide is sourced from PubChem (CID 145418064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).