ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol

C34H67NO10 — CID 178007529

IUPACethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol
SMILESCC.CCOC(C)(C)COC(C)CC(=O)NC(COCCC(C)=O)(COCCC(=O)CC(C)C)COCCC(=O)C(C)C.CO
InChIInChI=1S/C31H57NO9.C2H6.CH4O/c1-10-41-30(8,9)19-40-26(7)18-29(36)32-31(20-37-14-11-25(6)33,22-39-16-13-28(35)24(4)5)21-38-15-12-27(34)17-23(2)3;2*1-2/h23-24,26H,10-22H2,1-9H3,(H,32,36);1-2H3;2H,1H3
InChIKeyDUCOLZQOZKCWRU-UHFFFAOYSA-N
MW649.91 g/mol
LogP4.74
Rot. Bonds26

About ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol

ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol (PubChem CID 178007529) has the molecular formula C34H67NO10 and a molecular weight of 649.91 g/mol. Its IUPAC name is ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol.

Molecular Properties

Compound Nameethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol
PubChem CID178007529
Molecular FormulaC34H67NO10
Molecular Weight649.91 g/mol
Exact Mass649.48
IUPAC Nameethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol
SMILESCC.CCOC(C)(C)COC(C)CC(=O)NC(COCCC(C)=O)(COCCC(=O)CC(C)C)COCCC(=O)C(C)C.CO
InChIInChI=1S/C31H57NO9.C2H6.CH4O/c1-10-41-30(8,9)19-40-26(7)18-29(36)32-31(20-37-14-11-25(6)33,22-39-16-13-28(35)24(4)5)21-38-15-12-27(34)17-23(2)3;2*1-2/h23-24,26H,10-22H2,1-9H3,(H,32,36);1-2H3;2H,1H3
InChIKeyDUCOLZQOZKCWRU-UHFFFAOYSA-N
XLogP4.74
TPSA146.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.91
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol with MolForge

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Related Compounds

N-[1-(4-methyl-3-oxopentoxy)-2-(3-oxobutoxymethyl)-3-(3-oxopentoxy)propan-2-yl]propanamide
CID 178008588
ethane;4-methyl-1-[2-(methylamino)-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]pentan-3-one
CID 177178068
N-[1,3-bis(4-methyl-3-oxopentoxy)-2-[(4-methyl-3-oxopentoxy)methyl]propan-2-yl]-3-methyl-3-(2-methyl-2-propan-2-yloxypropoxy)butanamide;methanol
CID 171557290
N-[1,3-bis(4-methyl-3-oxopentoxy)-2-[(4-methyl-3-oxopentoxy)methyl]propan-2-yl]-2-propan-2-ylsulfanylacetamide
CID 167408697
5-methyl-1-(5-methyl-3-oxohexoxy)hexan-3-one
CID 57139233
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide
CID 162778888
3-[2-[3-[2,2-bis[[3-[[1,3-bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]amino]-3-oxopropoxy]methyl]-4-methylpentoxy]propanoylamino]-2-(2-carboxyethoxymethyl)-3-(3-oxobutoxy)propoxy]propanoic acid
CID 161411471
5-methyl-1-(4-methyl-2-oxopentoxy)hexan-3-one
CID 164708062
5-methyl-1-(3-methylbutoxy)hexan-3-one
CID 114998670
1-[2-(tert-butylamino)-2-[(4-methyl-3-oxopentoxy)methyl]-3-propoxypropoxy]-4,4-dimethylpentan-3-one
CID 163268696
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol?
The IUPAC name of ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol (CID 178007529) is ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol.
What is the SMILES notation for ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol?
The canonical SMILES for ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol is CC.CCOC(C)(C)COC(C)CC(=O)NC(COCCC(C)=O)(COCCC(=O)CC(C)C)COCCC(=O)C(C)C.CO.
What is the InChIKey of ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol?
The InChIKey is DUCOLZQOZKCWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57NO9.C2H6.CH4O/c1-10-41-30(8,9)19-40-26(7)18-29(36)32-31(20-37-14-11-25(6)33,22-39-16-13-28(35)24(4)5)21-38-15-12-27(34)17-23(2)3;2*1-2/h23-24,26H,10-22H2,1-9H3,(H,32,36);1-2H3;2H,1H3.
What are the key properties of ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol?
ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol has a molecular weight of 649.91 g/mol, XLogP of 4.74, 26 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol is sourced from PubChem (CID 178007529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).