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'}

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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).