3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide

C22H40N2O7 — CID 138721623

IUPAC3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide
SMILESCCCC(C)C(=O)CCOCCNC(=O)CCOCCC(=O)NCCOCCC(C)=O
InChIInChI=1S/C22H40N2O7/c1-4-5-18(2)20(26)7-13-31-17-11-24-22(28)9-15-29-14-8-21(27)23-10-16-30-12-6-19(3)25/h18H,4-17H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyQEZROKQOLDJQIL-UHFFFAOYSA-N
MW444.57 g/mol
LogP1.42
Rot. Bonds21

About 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide

3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide (PubChem CID 138721623) has the molecular formula C22H40N2O7 and a molecular weight of 444.57 g/mol. Its IUPAC name is 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide
PubChem CID138721623
Molecular FormulaC22H40N2O7
Molecular Weight444.57 g/mol
Exact Mass444.28
IUPAC Name3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide
SMILESCCCC(C)C(=O)CCOCCNC(=O)CCOCCC(=O)NCCOCCC(C)=O
InChIInChI=1S/C22H40N2O7/c1-4-5-18(2)20(26)7-13-31-17-11-24-22(28)9-15-29-14-8-21(27)23-10-16-30-12-6-19(3)25/h18H,4-17H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyQEZROKQOLDJQIL-UHFFFAOYSA-N
XLogP1.42
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
2-(henicosanoylamino)-5-oxo-5-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 123912281
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 170008061
(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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide?
The IUPAC name of 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide (CID 138721623) is 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide.
What is the SMILES notation for 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide?
The canonical SMILES for 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide is CCCC(C)C(=O)CCOCCNC(=O)CCOCCC(=O)NCCOCCC(C)=O.
What is the InChIKey of 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide?
The InChIKey is QEZROKQOLDJQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O7/c1-4-5-18(2)20(26)7-13-31-17-11-24-22(28)9-15-29-14-8-21(27)23-10-16-30-12-6-19(3)25/h18H,4-17H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide?
3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide has a molecular weight of 444.57 g/mol, XLogP of 1.42, 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-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide is sourced from PubChem (CID 138721623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).