N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C17H23NO — CID 2852569

IUPACN-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO/c1-11(2)13-5-7-15(8-6-13)18-17(19)16-10-12-3-4-14(16)9-12/h5-8,11-12,14,16H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyQZBXORJMNFUQQM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds3

About N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2852569) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2852569
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO/c1-11(2)13-5-7-15(8-6-13)18-17(19)16-10-12-3-4-14(16)9-12/h5-8,11-12,14,16H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyQZBXORJMNFUQQM-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2852569) is N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)c1ccc(NC(=O)C2CC3CCC2C3)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QZBXORJMNFUQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11(2)13-5-7-15(8-6-13)18-17(19)16-10-12-3-4-14(16)9-12/h5-8,11-12,14,16H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2852569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).