N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide

C10H19NO4 — CID 145058844

IUPACN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
SMILESCC(C)C(=O)COCCOCCNC=O
InChIInChI=1S/C10H19NO4/c1-9(2)10(13)7-15-6-5-14-4-3-11-8-12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJUGUDJGAHWVFJG-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.01
Rot. Bonds10

About N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide

N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide (PubChem CID 145058844) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
PubChem CID145058844
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
SMILESCC(C)C(=O)COCCOCCNC=O
InChIInChI=1S/C10H19NO4/c1-9(2)10(13)7-15-6-5-14-4-3-11-8-12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJUGUDJGAHWVFJG-UHFFFAOYSA-N
XLogP-0.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane
CID 155752051
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
CID 155751945
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide
CID 174360770
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
1-[2-[2-(tert-butylamino)ethoxy]ethoxy]-3-methylbutan-2-one
CID 138460886
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
2-amino-3-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]butanamide
CID 58663980
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide (CID 145058844) is N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide is CC(C)C(=O)COCCOCCNC=O.
What is the InChIKey of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide?
The InChIKey is JUGUDJGAHWVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2)10(13)7-15-6-5-14-4-3-11-8-12/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide?
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide has a molecular weight of 217.26 g/mol, XLogP of -0.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide is sourced from PubChem (CID 145058844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).