N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide

C16H24N2O2 — CID 65156973

IUPACN-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCc1cc(N)c(NC(=O)C2C(C)OC(C)C2C)cc1C
InChIInChI=1S/C16H24N2O2/c1-8-6-13(17)14(7-9(8)2)18-16(19)15-10(3)11(4)20-12(15)5/h6-7,10-12,15H,17H2,1-5H3,(H,18,19)
InChIKeyFAQBEXBVCDRLRV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.88
Rot. Bonds2

About N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65156973) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65156973
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCc1cc(N)c(NC(=O)C2C(C)OC(C)C2C)cc1C
InChIInChI=1S/C16H24N2O2/c1-8-6-13(17)14(7-9(8)2)18-16(19)15-10(3)11(4)20-12(15)5/h6-7,10-12,15H,17H2,1-5H3,(H,18,19)
InChIKeyFAQBEXBVCDRLRV-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
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-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65156973) is N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide is Cc1cc(N)c(NC(=O)C2C(C)OC(C)C2C)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is FAQBEXBVCDRLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-8-6-13(17)14(7-9(8)2)18-16(19)15-10(3)11(4)20-12(15)5/h6-7,10-12,15H,17H2,1-5H3,(H,18,19).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65156973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).