N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C18H24N2O3 — CID 134050966

IUPACN-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCOc1ccc(NC(=O)CC2CC3CCC2C3)cc1NC(C)=O
InChIInChI=1S/C18H24N2O3/c1-11(21)19-16-10-15(5-6-17(16)23-2)20-18(22)9-14-8-12-3-4-13(14)7-12/h5-6,10,12-14H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRCYBCFSHZLZNLC-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.42
Rot. Bonds5

About N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 134050966) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID134050966
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCOc1ccc(NC(=O)CC2CC3CCC2C3)cc1NC(C)=O
InChIInChI=1S/C18H24N2O3/c1-11(21)19-16-10-15(5-6-17(16)23-2)20-18(22)9-14-8-12-3-4-13(14)7-12/h5-6,10,12-14H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRCYBCFSHZLZNLC-UHFFFAOYSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937970
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 7741033
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 129376637
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 11914594
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6599122
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 7772878
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 11914003
N-[4-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 18558158
methyl 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoate
CID 43404005

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 134050966) is N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is COc1ccc(NC(=O)CC2CC3CCC2C3)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is RCYBCFSHZLZNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11(21)19-16-10-15(5-6-17(16)23-2)20-18(22)9-14-8-12-3-4-13(14)7-12/h5-6,10,12-14H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 134050966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).