N-methoxy-N,2-dimethylbutanamide;2-methylbutanal

C12H25NO3 — CID 160908077

IUPACN-methoxy-N,2-dimethylbutanamide;2-methylbutanal
SMILESCCC(C)C(=O)N(C)OC.CCC(C)C=O
InChIInChI=1S/C7H15NO2.C5H10O/c1-5-6(2)7(9)8(3)10-4;1-3-5(2)4-6/h6H,5H2,1-4H3;4-5H,3H2,1-2H3
InChIKeySQKDYGPDJAPGEG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.28
Rot. Bonds5

About N-methoxy-N,2-dimethylbutanamide;2-methylbutanal

N-methoxy-N,2-dimethylbutanamide;2-methylbutanal (PubChem CID 160908077) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methoxy-N,2-dimethylbutanamide;2-methylbutanal.

Molecular Properties

Compound NameN-methoxy-N,2-dimethylbutanamide;2-methylbutanal
PubChem CID160908077
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-methoxy-N,2-dimethylbutanamide;2-methylbutanal
SMILESCCC(C)C(=O)N(C)OC.CCC(C)C=O
InChIInChI=1S/C7H15NO2.C5H10O/c1-5-6(2)7(9)8(3)10-4;1-3-5(2)4-6/h6H,5H2,1-4H3;4-5H,3H2,1-2H3
InChIKeySQKDYGPDJAPGEG-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 161245608
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CID 85166766
N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
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(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
CID 71492099
[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)
CID 59898303
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
N-ethyl-N,2-dimethylbutanamide
CID 89343843
[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
CID 118978249
N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
CID 142005594
(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide
CID 158828106

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2-dimethylbutanamide;2-methylbutanal?
The IUPAC name of N-methoxy-N,2-dimethylbutanamide;2-methylbutanal (CID 160908077) is N-methoxy-N,2-dimethylbutanamide;2-methylbutanal.
What is the SMILES notation for N-methoxy-N,2-dimethylbutanamide;2-methylbutanal?
The canonical SMILES for N-methoxy-N,2-dimethylbutanamide;2-methylbutanal is CCC(C)C(=O)N(C)OC.CCC(C)C=O.
What is the InChIKey of N-methoxy-N,2-dimethylbutanamide;2-methylbutanal?
The InChIKey is SQKDYGPDJAPGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C5H10O/c1-5-6(2)7(9)8(3)10-4;1-3-5(2)4-6/h6H,5H2,1-4H3;4-5H,3H2,1-2H3.
What are the key properties of N-methoxy-N,2-dimethylbutanamide;2-methylbutanal?
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal has a molecular weight of 231.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2-dimethylbutanamide;2-methylbutanal is sourced from PubChem (CID 160908077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).