N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate

C17H33NO4 — CID 123591285

IUPACN-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate
SMILESC=CCOCCOC(=O)C(C)(C)CC.CCC(C)NC(C)=O
InChIInChI=1S/C11H20O3.C6H13NO/c1-5-7-13-8-9-14-10(12)11(3,4)6-2;1-4-5(2)7-6(3)8/h5H,1,6-9H2,2-4H3;5H,4H2,1-3H3,(H,7,8)
InChIKeyDDZLZFOBYRKELP-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.09
Rot. Bonds9

About N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate

N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate (PubChem CID 123591285) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound NameN-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate
PubChem CID123591285
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC NameN-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate
SMILESC=CCOCCOC(=O)C(C)(C)CC.CCC(C)NC(C)=O
InChIInChI=1S/C11H20O3.C6H13NO/c1-5-7-13-8-9-14-10(12)11(3,4)6-2;1-4-5(2)7-6(3)8/h5H,1,6-9H2,2-4H3;5H,4H2,1-3H3,(H,7,8)
InChIKeyDDZLZFOBYRKELP-UHFFFAOYSA-N
XLogP3.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate?
The IUPAC name of N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate (CID 123591285) is N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate.
What is the SMILES notation for N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate?
The canonical SMILES for N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate is C=CCOCCOC(=O)C(C)(C)CC.CCC(C)NC(C)=O.
What is the InChIKey of N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate?
The InChIKey is DDZLZFOBYRKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3.C6H13NO/c1-5-7-13-8-9-14-10(12)11(3,4)6-2;1-4-5(2)7-6(3)8/h5H,1,6-9H2,2-4H3;5H,4H2,1-3H3,(H,7,8).
What are the key properties of N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate?
N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate has a molecular weight of 315.45 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 123591285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).