2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide

C23H47N3O5 — CID 170012060

IUPAC2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCOCCOCCOCCC(C)C)CC(=O)NCCC(C)C
InChIInChI=1S/C23H47N3O5/c1-6-9-24-22(27)18-26(19-23(28)25-10-7-20(2)3)11-13-30-15-17-31-16-14-29-12-8-21(4)5/h20-21H,6-19H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyMBUWVDISPACKPI-UHFFFAOYSA-N
MW445.65 g/mol
LogP2.07
Rot. Bonds21

About 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide

2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide (PubChem CID 170012060) has the molecular formula C23H47N3O5 and a molecular weight of 445.65 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
PubChem CID170012060
Molecular FormulaC23H47N3O5
Molecular Weight445.65 g/mol
Exact Mass445.35
IUPAC Name2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCOCCOCCOCCC(C)C)CC(=O)NCCC(C)C
InChIInChI=1S/C23H47N3O5/c1-6-9-24-22(27)18-26(19-23(28)25-10-7-20(2)3)11-13-30-15-17-31-16-14-29-12-8-21(4)5/h20-21H,6-19H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyMBUWVDISPACKPI-UHFFFAOYSA-N
XLogP2.07
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-ethylacetamide
CID 168986634
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetamide
CID 168986576
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
CID 170613092
2-[[N'-methyl-N-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]-N-propylacetamide
CID 111970986
N-(3-methylbutyl)-N',N'-bis(2-tetradecoxyethyl)butanediamide
CID 176573211

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide (CID 170012060) is 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide is CCCNC(=O)CN(CCOCCOCCOCCC(C)C)CC(=O)NCCC(C)C.
What is the InChIKey of 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide?
The InChIKey is MBUWVDISPACKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O5/c1-6-9-24-22(27)18-26(19-23(28)25-10-7-20(2)3)11-13-30-15-17-31-16-14-29-12-8-21(4)5/h20-21H,6-19H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide?
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide has a molecular weight of 445.65 g/mol, XLogP of 2.07, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide is sourced from PubChem (CID 170012060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).