acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate

C15H29NO5 — CID 129050698

IUPACacetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate
SMILESCC(N)=O.CCOC(=O)C(C(=O)OCC)C(C)(C)C(C)C
InChIInChI=1S/C13H24O4.C2H5NO/c1-7-16-11(14)10(12(15)17-8-2)13(5,6)9(3)4;1-2(3)4/h9-10H,7-8H2,1-6H3;1H3,(H2,3,4)
InChIKeyMBFUKDQEVUUUIC-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.90
Rot. Bonds6

About acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate

acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate (PubChem CID 129050698) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate.

Molecular Properties

Compound Nameacetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate
PubChem CID129050698
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nameacetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate
SMILESCC(N)=O.CCOC(=O)C(C(=O)OCC)C(C)(C)C(C)C
InChIInChI=1S/C13H24O4.C2H5NO/c1-7-16-11(14)10(12(15)17-8-2)13(5,6)9(3)4;1-2(3)4/h9-10H,7-8H2,1-6H3;1H3,(H2,3,4)
InChIKeyMBFUKDQEVUUUIC-UHFFFAOYSA-N
XLogP1.90
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-(1,1-difluoro-2-methylpropan-2-yl)propanedioate
CID 129050677
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl 3,3-dimethyl-2-[methyl(pentan-2-yl)carbamoyl]butanoate
CID 116537775
ethyl 3,3-dimethyl-2-propan-2-ylbutanoate
CID 523552
1-O-ethyl 3-O-(2-methylprop-2-enyl) 2-tert-butylpropanedioate
CID 54268855
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
ethyl 3,3-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]butanoate
CID 116538257
ethyl 2-[ethyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537733
ethyl acetate;bis(propan-2-ol)
CID 87186921
diethyl 2-methylpropanedioate;zirconium
CID 174876844
diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate
CID 10870349
ethyl acetate;2-methylpropanamide
CID 174848751

Frequently Asked Questions

What is the IUPAC name of acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate?
The IUPAC name of acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate (CID 129050698) is acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate.
What is the SMILES notation for acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate?
The canonical SMILES for acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate is CC(N)=O.CCOC(=O)C(C(=O)OCC)C(C)(C)C(C)C.
What is the InChIKey of acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate?
The InChIKey is MBFUKDQEVUUUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.C2H5NO/c1-7-16-11(14)10(12(15)17-8-2)13(5,6)9(3)4;1-2(3)4/h9-10H,7-8H2,1-6H3;1H3,(H2,3,4).
What are the key properties of acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate?
acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate has a molecular weight of 303.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate is sourced from PubChem (CID 129050698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).