N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide

N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide (PubChem CID 147836782) has the molecular formula C67H126N2O18 and a molecular weight of 1247.74 g/mol. Its IUPAC name is N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide.

Molecular Properties

Compound Name	N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide
PubChem CID	147836782
Molecular Formula	C67H126N2O18
Molecular Weight	1247.74 g/mol
Exact Mass	1246.90
IUPAC Name	N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide
SMILES	CCC1O[C@@H](OCCOCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCOCCO[C@@H]2OC(CC)[C@H](C)C(C)[C@H]2C)(COCCC(=O)NCCOCCOCCO[C@@H]2OC(CC)[C@H](C)C(C)[C@H]2C)NCC(C)C)[C@H](C)C(C)[C@H]1C
InChI	InChI=1S/C67H126N2O18/c1-15-60-52(9)49(6)55(12)64(85-60)82-41-38-76-35-32-73-26-18-20-58(70)22-28-79-45-67(69-44-48(4)5,46-80-29-23-59(71)21-19-27-74-33-36-77-39-42-83-65-56(13)50(7)53(10)61(16-2)86-65)47-81-30-24-63(72)68-25-31-75-34-37-78-40-43-84-66-57(14)51(8)54(11)62(17-3)87-66/h48-57,60-62,64-66,69H,15-47H2,1-14H3,(H,68,72)/t49?,50?,51?,52-,53-,54-,55-,56-,57-,60?,61?,62?,64-,65-,66-,67?/m1/s1
InChIKey	HSEDJLMMNWAAHT-AWIAHJGBSA-N
XLogP	9.28
TPSA	213.72 Å²
H-Bond Donors	2
H-Bond Acceptors	19
Rotatable Bonds	53
Heavy Atoms	87
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.74
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide?

The IUPAC name of N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide (CID 147836782) is N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide.

What is the SMILES notation for N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide?

The canonical SMILES for N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide is CCC1O[C@@H](OCCOCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCOCCO[C@@H]2OC(CC)[C@H](C)C(C)[C@H]2C)(COCCC(=O)NCCOCCOCCO[C@@H]2OC(CC)[C@H](C)C(C)[C@H]2C)NCC(C)C)[C@H](C)C(C)[C@H]1C.

What is the InChIKey of N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide?

The InChIKey is HSEDJLMMNWAAHT-AWIAHJGBSA-N. The full InChI is InChI=1S/C67H126N2O18/c1-15-60-52(9)49(6)55(12)64(85-60)82-41-38-76-35-32-73-26-18-20-58(70)22-28-79-45-67(69-44-48(4)5,46-80-29-23-59(71)21-19-27-74-33-36-77-39-42-83-65-56(13)50(7)53(10)61(16-2)86-65)47-81-30-24-63(72)68-25-31-75-34-37-78-40-43-84-66-57(14)51(8)54(11)62(17-3)87-66/h48-57,60-62,64-66,69H,15-47H2,1-14H3,(H,68,72)/t49?,50?,51?,52-,53-,54-,55-,56-,57-,60?,61?,62?,64-,65-,66-,67?/m1/s1.

What are the key properties of N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide?

Where does this data come from?

All data for N-[2-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]-2-[[6-[2-[2-[(2R,3R,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]-3-oxohexoxy]methyl]-2-(2-methylpropylamino)propoxy]propanamide is sourced from PubChem (CID 147836782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).