N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide

C16H24N2O2 — CID 65156880

IUPACN-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCN(C(=O)C1C(C)OC(C)C1C)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-5-18(14-8-6-13(17)7-9-14)16(19)15-10(2)11(3)20-12(15)4/h6-12,15H,5,17H2,1-4H3
InChIKeyYNAWRMFKXJMMOA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds3

About N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide

N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65156880) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65156880
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCN(C(=O)C1C(C)OC(C)C1C)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-5-18(14-8-6-13(17)7-9-14)16(19)15-10(2)11(3)20-12(15)4/h6-12,15H,5,17H2,1-4H3
InChIKeyYNAWRMFKXJMMOA-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide (CID 65156880) is N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide is CCN(C(=O)C1C(C)OC(C)C1C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is YNAWRMFKXJMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-18(14-8-6-13(17)7-9-14)16(19)15-10(2)11(3)20-12(15)4/h6-12,15H,5,17H2,1-4H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65156880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).