N,N-dimethylformamide;2-ethylbutanamide

C9H20N2O2 — CID 118917996

IUPACN,N-dimethylformamide;2-ethylbutanamide
SMILESCCC(CC)C(N)=O.CN(C)C=O
InChIInChI=1S/C6H13NO.C3H7NO/c1-3-5(4-2)6(7)8;1-4(2)3-5/h5H,3-4H2,1-2H3,(H2,7,8);3H,1-2H3
InChIKeyLNOOKGVPUFKVRC-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.61
Rot. Bonds4

About N,N-dimethylformamide;2-ethylbutanamide

N,N-dimethylformamide;2-ethylbutanamide (PubChem CID 118917996) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N,N-dimethylformamide;2-ethylbutanamide.

Molecular Properties

Compound NameN,N-dimethylformamide;2-ethylbutanamide
PubChem CID118917996
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN,N-dimethylformamide;2-ethylbutanamide
SMILESCCC(CC)C(N)=O.CN(C)C=O
InChIInChI=1S/C6H13NO.C3H7NO/c1-3-5(4-2)6(7)8;1-4(2)3-5/h5H,3-4H2,1-2H3,(H2,7,8);3H,1-2H3
InChIKeyLNOOKGVPUFKVRC-UHFFFAOYSA-N
XLogP0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.61
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

2-ethylpentanamide;hydrochloride
CID 121334657
ethane;2-ethylpentanamide
CID 178117178
(2R)-2,4-diethylhexanamide
CID 95562524
N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368
acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
azane;2-ethyldodecanamide
CID 174462460
(2S)-2-ethylpentanediamide
CID 146526357
3-ethyl-2-oxopentanamide
CID 21120726
CID 159352431
CID 159352431
2-butylhexanoic acid;N,N-dimethylformamide
CID 19350390
2-ethyl-4-(propylamino)butanamide
CID 143325556
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2-ethylbutanamide?
The IUPAC name of N,N-dimethylformamide;2-ethylbutanamide (CID 118917996) is N,N-dimethylformamide;2-ethylbutanamide.
What is the SMILES notation for N,N-dimethylformamide;2-ethylbutanamide?
The canonical SMILES for N,N-dimethylformamide;2-ethylbutanamide is CCC(CC)C(N)=O.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;2-ethylbutanamide?
The InChIKey is LNOOKGVPUFKVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H7NO/c1-3-5(4-2)6(7)8;1-4(2)3-5/h5H,3-4H2,1-2H3,(H2,7,8);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;2-ethylbutanamide?
N,N-dimethylformamide;2-ethylbutanamide has a molecular weight of 188.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2-ethylbutanamide is sourced from PubChem (CID 118917996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).