N-(2-formylbutyl)-N-methylacetamide

C8H15NO2 — CID 12688089

IUPACN-(2-formylbutyl)-N-methylacetamide
SMILESCCC(C=O)CN(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-4-8(6-10)5-9(3)7(2)11/h6,8H,4-5H2,1-3H3
InChIKeyYGCGHPFSULYDDN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds4

About N-(2-formylbutyl)-N-methylacetamide

N-(2-formylbutyl)-N-methylacetamide (PubChem CID 12688089) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2-formylbutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-formylbutyl)-N-methylacetamide
PubChem CID12688089
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2-formylbutyl)-N-methylacetamide
SMILESCCC(C=O)CN(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-4-8(6-10)5-9(3)7(2)11/h6,8H,4-5H2,1-3H3
InChIKeyYGCGHPFSULYDDN-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-(2-hydroxybutyl)-N-methylacetamide;methane
CID 158717174
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-methyl-N-(2-methyl-3-oxobutyl)acetamide
CID 130029247
N-methyl-N-(2-oxoethyl)acetamide
CID 15885752
N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
CID 126993696
N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
CID 19757608
N-methyl-N-[(2S)-2-(methylamino)propyl]acetamide
CID 58006956
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
(2S)-2-ethylpentanal
CID 71368973
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
CID 171093206
ethane;N-methyl-N-(3-oxopropyl)acetamide
CID 143162499

Frequently Asked Questions

What is the IUPAC name of N-(2-formylbutyl)-N-methylacetamide?
The IUPAC name of N-(2-formylbutyl)-N-methylacetamide (CID 12688089) is N-(2-formylbutyl)-N-methylacetamide.
What is the SMILES notation for N-(2-formylbutyl)-N-methylacetamide?
The canonical SMILES for N-(2-formylbutyl)-N-methylacetamide is CCC(C=O)CN(C)C(C)=O.
What is the InChIKey of N-(2-formylbutyl)-N-methylacetamide?
The InChIKey is YGCGHPFSULYDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(6-10)5-9(3)7(2)11/h6,8H,4-5H2,1-3H3.
What are the key properties of N-(2-formylbutyl)-N-methylacetamide?
N-(2-formylbutyl)-N-methylacetamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylbutyl)-N-methylacetamide is sourced from PubChem (CID 12688089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).