N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide

C10H19NO3 — CID 82948688

IUPACN-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
SMILESCOCCN(C(=O)CC(C)=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)11(5-6-14-4)10(13)7-9(3)12/h8H,5-7H2,1-4H3
InChIKeyKFBWQZSQNPPUBM-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.85
Rot. Bonds6

About N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide

N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide (PubChem CID 82948688) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
PubChem CID82948688
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
SMILESCOCCN(C(=O)CC(C)=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)11(5-6-14-4)10(13)7-9(3)12/h8H,5-7H2,1-4H3
InChIKeyKFBWQZSQNPPUBM-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
4-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948012
4-[2-methoxyethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82948546
3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide
CID 82948214
2-(4-aminocyclohexyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82961246
2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 82948013
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide?
The IUPAC name of N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide (CID 82948688) is N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide is COCCN(C(=O)CC(C)=O)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide?
The InChIKey is KFBWQZSQNPPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)11(5-6-14-4)10(13)7-9(3)12/h8H,5-7H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide?
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide has a molecular weight of 201.27 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide is sourced from PubChem (CID 82948688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).