N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide

C15H18N2O2 — CID 56689692

IUPACN-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC23CCC3)cc1
InChIInChI=1S/C15H18N2O2/c1-10(18)16-11-3-5-12(6-4-11)17-14(19)13-9-15(13)7-2-8-15/h3-6,13H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyPSVORTOUKUHHEP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.77
Rot. Bonds3

About N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide

N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide (PubChem CID 56689692) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
PubChem CID56689692
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC23CCC3)cc1
InChIInChI=1S/C15H18N2O2/c1-10(18)16-11-3-5-12(6-4-11)17-14(19)13-9-15(13)7-2-8-15/h3-6,13H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyPSVORTOUKUHHEP-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide (CID 56689692) is N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CC23CCC3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide?
The InChIKey is PSVORTOUKUHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)16-11-3-5-12(6-4-11)17-14(19)13-9-15(13)7-2-8-15/h3-6,13H,2,7-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide?
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 56689692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).