N-(2,3-dimethyl-4-oxobutyl)formamide

C7H13NO2 — CID 174582773

IUPACN-(2,3-dimethyl-4-oxobutyl)formamide
SMILESCC(C=O)C(C)CNC=O
InChIInChI=1S/C7H13NO2/c1-6(3-8-5-10)7(2)4-9/h4-7H,3H2,1-2H3,(H,8,10)
InChIKeyWEDWPYUHIOTDRS-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.20
Rot. Bonds5

About N-(2,3-dimethyl-4-oxobutyl)formamide

N-(2,3-dimethyl-4-oxobutyl)formamide (PubChem CID 174582773) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-oxobutyl)formamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-oxobutyl)formamide
PubChem CID174582773
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(2,3-dimethyl-4-oxobutyl)formamide
SMILESCC(C=O)C(C)CNC=O
InChIInChI=1S/C7H13NO2/c1-6(3-8-5-10)7(2)4-9/h4-7H,3H2,1-2H3,(H,8,10)
InChIKeyWEDWPYUHIOTDRS-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-2-(methylamino)butyl]formamide
CID 170705034
N-[3-methyl-2-(methylaminomethyl)butyl]formamide
CID 177136057
N-[3-methyl-2-(propan-2-ylamino)butyl]formamide
CID 170704985
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
N-(4-hydroxy-2-methylpentyl)formamide
CID 130972750
dichloromethane;2,3-dimethylbutanal
CID 174845738
N-(3-imino-2-methylpropyl)formamide
CID 123138014
4-formamido-3-methyl-2-phenylmethoxybutanoic acid
CID 174622466
N-(2-methylnonyl)formamide
CID 146433499
N-(4-methoxy-2-methylbutyl)formamide
CID 91122116
3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal
CID 90790560

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-oxobutyl)formamide?
The IUPAC name of N-(2,3-dimethyl-4-oxobutyl)formamide (CID 174582773) is N-(2,3-dimethyl-4-oxobutyl)formamide.
What is the SMILES notation for N-(2,3-dimethyl-4-oxobutyl)formamide?
The canonical SMILES for N-(2,3-dimethyl-4-oxobutyl)formamide is CC(C=O)C(C)CNC=O.
What is the InChIKey of N-(2,3-dimethyl-4-oxobutyl)formamide?
The InChIKey is WEDWPYUHIOTDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(3-8-5-10)7(2)4-9/h4-7H,3H2,1-2H3,(H,8,10).
What are the key properties of N-(2,3-dimethyl-4-oxobutyl)formamide?
N-(2,3-dimethyl-4-oxobutyl)formamide has a molecular weight of 143.19 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-oxobutyl)formamide is sourced from PubChem (CID 174582773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).