N-(3-ethylpentan-2-yl)-3-oxobutanamide

C11H21NO2 — CID 63836375

IUPACN-(3-ethylpentan-2-yl)-3-oxobutanamide
SMILESCCC(CC)C(C)NC(=O)CC(C)=O
InChIInChI=1S/C11H21NO2/c1-5-10(6-2)9(4)12-11(14)7-8(3)13/h9-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyXNCSZLFOZJEJQC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-3-oxobutanamide

N-(3-ethylpentan-2-yl)-3-oxobutanamide (PubChem CID 63836375) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-3-oxobutanamide
PubChem CID63836375
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3-ethylpentan-2-yl)-3-oxobutanamide
SMILESCCC(CC)C(C)NC(=O)CC(C)=O
InChIInChI=1S/C11H21NO2/c1-5-10(6-2)9(4)12-11(14)7-8(3)13/h9-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyXNCSZLFOZJEJQC-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylpentan-2-yl)-4-hydroxypentanamide
CID 79192022
N-(3-ethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112690212
2-(3-ethylpentan-2-ylamino)-2-oxoacetic acid
CID 63836816
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
(2S)-2-(3-oxobutanoylamino)propanoic acid
CID 40571624
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
(2S)-2-(3-ethylpentan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 63844080
2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
CID 114328721
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
5-(3-ethylpentan-2-ylcarbamoylamino)hexanoic acid
CID 82848350

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-3-oxobutanamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-3-oxobutanamide (CID 63836375) is N-(3-ethylpentan-2-yl)-3-oxobutanamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-3-oxobutanamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-3-oxobutanamide is CCC(CC)C(C)NC(=O)CC(C)=O.
What is the InChIKey of N-(3-ethylpentan-2-yl)-3-oxobutanamide?
The InChIKey is XNCSZLFOZJEJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-10(6-2)9(4)12-11(14)7-8(3)13/h9-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-(3-ethylpentan-2-yl)-3-oxobutanamide?
N-(3-ethylpentan-2-yl)-3-oxobutanamide has a molecular weight of 199.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-3-oxobutanamide is sourced from PubChem (CID 63836375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).