N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

C15H22N2O2 — CID 65157408

IUPACN-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)c2cccc(N)c2)C1C
InChIInChI=1S/C15H22N2O2/c1-9-10(2)19-11(3)14(9)15(18)17(4)13-7-5-6-12(16)8-13/h5-11,14H,16H2,1-4H3
InChIKeyUNZNXHNMMBHLQN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds2

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

N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (PubChem CID 65157408) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
PubChem CID65157408
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)c2cccc(N)c2)C1C
InChIInChI=1S/C15H22N2O2/c1-9-10(2)19-11(3)14(9)15(18)17(4)13-7-5-6-12(16)8-13/h5-11,14H,16H2,1-4H3
InChIKeyUNZNXHNMMBHLQN-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (CID 65157408) is N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(C)c2cccc(N)c2)C1C.
What is the InChIKey of N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The InChIKey is UNZNXHNMMBHLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-10(2)19-11(3)14(9)15(18)17(4)13-7-5-6-12(16)8-13/h5-11,14H,16H2,1-4H3.
What are the key properties of N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is sourced from PubChem (CID 65157408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).