butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate

C17H24N2O4 — CID 74227806

IUPACbutyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)N2COCC2(C)C)cc1
InChIInChI=1S/C17H24N2O4/c1-4-5-10-23-15(20)13-6-8-14(9-7-13)18-16(21)19-12-22-11-17(19,2)3/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyNJXLFBGPYWHZMP-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.24
Rot. Bonds5

About butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate

butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate (PubChem CID 74227806) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate
PubChem CID74227806
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namebutyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)N2COCC2(C)C)cc1
InChIInChI=1S/C17H24N2O4/c1-4-5-10-23-15(20)13-6-8-14(9-7-13)18-16(21)19-12-22-11-17(19,2)3/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyNJXLFBGPYWHZMP-UHFFFAOYSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate?
The IUPAC name of butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate (CID 74227806) is butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)N2COCC2(C)C)cc1.
What is the InChIKey of butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate?
The InChIKey is NJXLFBGPYWHZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-5-10-23-15(20)13-6-8-14(9-7-13)18-16(21)19-12-22-11-17(19,2)3/h6-9H,4-5,10-12H2,1-3H3,(H,18,21).
What are the key properties of butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate?
butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate has a molecular weight of 320.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 74227806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).