N-(3-methyl-2-oxobutoxy)formamide

C6H11NO3 — CID 166112488

IUPACN-(3-methyl-2-oxobutoxy)formamide
SMILESCC(C)C(=O)CONC=O
InChIInChI=1S/C6H11NO3/c1-5(2)6(9)3-10-7-4-8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyVTODRUFTVNFRMP-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.11
Rot. Bonds5

About N-(3-methyl-2-oxobutoxy)formamide

N-(3-methyl-2-oxobutoxy)formamide (PubChem CID 166112488) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutoxy)formamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutoxy)formamide
PubChem CID166112488
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-(3-methyl-2-oxobutoxy)formamide
SMILESCC(C)C(=O)CONC=O
InChIInChI=1S/C6H11NO3/c1-5(2)6(9)3-10-7-4-8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyVTODRUFTVNFRMP-UHFFFAOYSA-N
XLogP-0.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxopropoxy)formamide
CID 174709773
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
N-(3-methyl-2-oxobutyl)formamide
CID 64997253
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
N-[2-(phosphanylamino)propoxy]formamide
CID 144814967
N-ethoxy-2-methylpropanamide
CID 60717901
N-(2-hydroxyethoxy)formamide
CID 57258279
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
3-methyl-1-(3-methyl-2-oxobutoxy)butan-2-one;3-methyl-1-(3-methyl-2-oxobutyl)sulfanylbutan-2-one
CID 163834477
CID 174022080
CID 174022080
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutoxy)formamide?
The IUPAC name of N-(3-methyl-2-oxobutoxy)formamide (CID 166112488) is N-(3-methyl-2-oxobutoxy)formamide.
What is the SMILES notation for N-(3-methyl-2-oxobutoxy)formamide?
The canonical SMILES for N-(3-methyl-2-oxobutoxy)formamide is CC(C)C(=O)CONC=O.
What is the InChIKey of N-(3-methyl-2-oxobutoxy)formamide?
The InChIKey is VTODRUFTVNFRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(2)6(9)3-10-7-4-8/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of N-(3-methyl-2-oxobutoxy)formamide?
N-(3-methyl-2-oxobutoxy)formamide has a molecular weight of 145.16 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutoxy)formamide is sourced from PubChem (CID 166112488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).