N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide

C23H43NO7 — CID 167408503

IUPACN-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide
SMILESCC(C)OCCOCC(=O)N(C)C(COCCC(=O)C(C)C)COCCC(=O)C(C)C
InChIInChI=1S/C23H43NO7/c1-17(2)21(25)8-10-28-14-20(15-29-11-9-22(26)18(3)4)24(7)23(27)16-30-12-13-31-19(5)6/h17-20H,8-16H2,1-7H3
InChIKeyXEXAOLYDNPGLGO-UHFFFAOYSA-N
MW445.60 g/mol
LogP2.52
Rot. Bonds19

About N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide

N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide (PubChem CID 167408503) has the molecular formula C23H43NO7 and a molecular weight of 445.60 g/mol. Its IUPAC name is N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide
PubChem CID167408503
Molecular FormulaC23H43NO7
Molecular Weight445.60 g/mol
Exact Mass445.30
IUPAC NameN-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide
SMILESCC(C)OCCOCC(=O)N(C)C(COCCC(=O)C(C)C)COCCC(=O)C(C)C
InChIInChI=1S/C23H43NO7/c1-17(2)21(25)8-10-28-14-20(15-29-11-9-22(26)18(3)4)24(7)23(27)16-30-12-13-31-19(5)6/h17-20H,8-16H2,1-7H3
InChIKeyXEXAOLYDNPGLGO-UHFFFAOYSA-N
XLogP2.52
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
N,N-dimethyl-2-(2-propan-2-yloxyethoxy)acetamide
CID 172604090
3-methyl-1-[2-(3-methyl-2-oxobutoxy)ethoxy]butan-2-one;2-(2-propan-2-yloxyethoxy)propane
CID 163475456
1-(2,2-difluoroethoxy)-4-methylpentan-3-one
CID 103147305
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
2-acetyl-N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-4-ethylsulfanyl-N,2,4-trimethylpentanamide;ethane
CID 171558155
1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one
CID 167420848
1-[1,3-bis[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ylamino]-3-methylbutan-2-one
CID 167420722
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
N-methyl-2-(2-propan-2-yloxyethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
CID 167408580

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide?
The IUPAC name of N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide (CID 167408503) is N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide.
What is the SMILES notation for N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide?
The canonical SMILES for N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide is CC(C)OCCOCC(=O)N(C)C(COCCC(=O)C(C)C)COCCC(=O)C(C)C.
What is the InChIKey of N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide?
The InChIKey is XEXAOLYDNPGLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO7/c1-17(2)21(25)8-10-28-14-20(15-29-11-9-22(26)18(3)4)24(7)23(27)16-30-12-13-31-19(5)6/h17-20H,8-16H2,1-7H3.
What are the key properties of N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide?
N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide has a molecular weight of 445.60 g/mol, XLogP of 2.52, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide is sourced from PubChem (CID 167408503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).