3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide

C42H83N3O16 — CID 176825441

IUPAC3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CCOCCOCCOCC(=O)NC(COCCC(=O)NCCOCCOCCOCCOC(C)C)COCCC(=O)NCCOCCOCCOCCOC(C)C
InChIInChI=1S/C42H83N3O16/c1-36(2)7-12-49-17-20-54-27-28-59-35-42(48)45-39(33-57-13-8-40(46)43-10-15-50-18-21-52-23-25-55-29-31-60-37(3)4)34-58-14-9-41(47)44-11-16-51-19-22-53-24-26-56-30-32-61-38(5)6/h36-39H,7-35H2,1-6H3,(H,43,46)(H,44,47)(H,45,48)
InChIKeyYCOIROWXVGIETM-UHFFFAOYSA-N
MW886.13 g/mol
LogP1.56
Rot. Bonds48

About 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide

3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 176825441) has the molecular formula C42H83N3O16 and a molecular weight of 886.13 g/mol. Its IUPAC name is 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
PubChem CID176825441
Molecular FormulaC42H83N3O16
Molecular Weight886.13 g/mol
Exact Mass885.58
IUPAC Name3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CCOCCOCCOCC(=O)NC(COCCC(=O)NCCOCCOCCOCCOC(C)C)COCCC(=O)NCCOCCOCCOCCOC(C)C
InChIInChI=1S/C42H83N3O16/c1-36(2)7-12-49-17-20-54-27-28-59-35-42(48)45-39(33-57-13-8-40(46)43-10-15-50-18-21-52-23-25-55-29-31-60-37(3)4)34-58-14-9-41(47)44-11-16-51-19-22-53-24-26-56-30-32-61-38(5)6/h36-39H,7-35H2,1-6H3,(H,43,46)(H,44,47)(H,45,48)
InChIKeyYCOIROWXVGIETM-UHFFFAOYSA-N
XLogP1.56
TPSA207.29 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.13
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide with MolForge

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Related Compounds

4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide
CID 170045344
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide
CID 171771197
N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
CID 168986443
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 178126322
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide (CID 176825441) is 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide is CC(C)CCOCCOCCOCC(=O)NC(COCCC(=O)NCCOCCOCCOCCOC(C)C)COCCC(=O)NCCOCCOCCOCCOC(C)C.
What is the InChIKey of 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is YCOIROWXVGIETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H83N3O16/c1-36(2)7-12-49-17-20-54-27-28-59-35-42(48)45-39(33-57-13-8-40(46)43-10-15-50-18-21-52-23-25-55-29-31-60-37(3)4)34-58-14-9-41(47)44-11-16-51-19-22-53-24-26-56-30-32-61-38(5)6/h36-39H,7-35H2,1-6H3,(H,43,46)(H,44,47)(H,45,48).
What are the key properties of 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 886.13 g/mol, XLogP of 1.56, 48 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 176825441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).