2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide

C19H26N2O2 — CID 51146705

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C19H26N2O2/c1-12-4-3-5-13(2)19(12)21-18(23)11-20-17(22)10-16-9-14-6-7-15(16)8-14/h3-5,14-16H,6-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXVMJMVORUVGPEQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide (PubChem CID 51146705) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
PubChem CID51146705
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C19H26N2O2/c1-12-4-3-5-13(2)19(12)21-18(23)11-20-17(22)10-16-9-14-6-7-15(16)8-14/h3-5,14-16H,6-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXVMJMVORUVGPEQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932970
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 11913397
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide
CID 11937405
1-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea
CID 21174233
2-(2-bicyclo[2.2.1]heptanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 4815541
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
CID 119684592
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide (CID 51146705) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide?
The InChIKey is XVMJMVORUVGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-4-3-5-13(2)19(12)21-18(23)11-20-17(22)10-16-9-14-6-7-15(16)8-14/h3-5,14-16H,6-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 51146705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).