N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide

C19H25NO2 — CID 124527951

IUPACN-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-12-5-7-13(8-6-12)20-16(21)11-14-15-9-10-19(4,17(14)22)18(15,2)3/h5-8,14-15H,9-11H2,1-4H3,(H,20,21)/t14-,15-,19-/m1/s1
InChIKeyTYQWYBWNFZCZMT-SPYBWZPUSA-N
MW299.41 g/mol
LogP3.97
Rot. Bonds3

About N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide

N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 124527951) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID124527951
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-12-5-7-13(8-6-12)20-16(21)11-14-15-9-10-19(4,17(14)22)18(15,2)3/h5-8,14-15H,9-11H2,1-4H3,(H,20,21)/t14-,15-,19-/m1/s1
InChIKeyTYQWYBWNFZCZMT-SPYBWZPUSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide (CID 124527951) is N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide is Cc1ccc(NC(=O)C[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is TYQWYBWNFZCZMT-SPYBWZPUSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-5-7-13(8-6-12)20-16(21)11-14-15-9-10-19(4,17(14)22)18(15,2)3/h5-8,14-15H,9-11H2,1-4H3,(H,20,21)/t14-,15-,19-/m1/s1.
What are the key properties of N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide?
N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 299.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(1R,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 124527951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).