N-butan-2-yl-N-ethyl-3-oxobutanamide

C10H19NO2 — CID 43274631

IUPACN-butan-2-yl-N-ethyl-3-oxobutanamide
SMILESCCC(C)N(CC)C(=O)CC(C)=O
InChIInChI=1S/C10H19NO2/c1-5-8(3)11(6-2)10(13)7-9(4)12/h8H,5-7H2,1-4H3
InChIKeyIWNAILSEULPGRN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.61
Rot. Bonds5

About N-butan-2-yl-N-ethyl-3-oxobutanamide

N-butan-2-yl-N-ethyl-3-oxobutanamide (PubChem CID 43274631) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-3-oxobutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-3-oxobutanamide
PubChem CID43274631
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-butan-2-yl-N-ethyl-3-oxobutanamide
SMILESCCC(C)N(CC)C(=O)CC(C)=O
InChIInChI=1S/C10H19NO2/c1-5-8(3)11(6-2)10(13)7-9(4)12/h8H,5-7H2,1-4H3
InChIKeyIWNAILSEULPGRN-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
N-butan-2-yl-N-ethylcarbamoyl bromide
CID 140982150
5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965888
4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
N-butan-2-yl-5-chloro-N-ethylpentanamide
CID 43274439
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79281144
N-ethyl-N-prop-1-en-2-ylbutan-2-amine
CID 143392263
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
4-[[butan-2-yl(ethyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992205
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
4-[butan-2-yl(ethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495920

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-3-oxobutanamide?
The IUPAC name of N-butan-2-yl-N-ethyl-3-oxobutanamide (CID 43274631) is N-butan-2-yl-N-ethyl-3-oxobutanamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-3-oxobutanamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-3-oxobutanamide is CCC(C)N(CC)C(=O)CC(C)=O.
What is the InChIKey of N-butan-2-yl-N-ethyl-3-oxobutanamide?
The InChIKey is IWNAILSEULPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-8(3)11(6-2)10(13)7-9(4)12/h8H,5-7H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-3-oxobutanamide?
N-butan-2-yl-N-ethyl-3-oxobutanamide has a molecular weight of 185.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-3-oxobutanamide is sourced from PubChem (CID 43274631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).