2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide

C20H28N2O3 — CID 112771665

IUPAC2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C20H28N2O3/c1-19(2)13-9-10-20(19,3)16(11-13)22-17(23)12-21-18(24)14-7-5-6-8-15(14)25-4/h5-8,13,16H,9-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyOPEIEHQTIJDUQG-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.76
Rot. Bonds5

About 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide

2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide (PubChem CID 112771665) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide
PubChem CID112771665
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C20H28N2O3/c1-19(2)13-9-10-20(19,3)16(11-13)22-17(23)12-21-18(24)14-7-5-6-8-15(14)25-4/h5-8,13,16H,9-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyOPEIEHQTIJDUQG-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide with MolForge

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 47389054
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
3-formamido-2-hydroxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 90024528
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 55626791
N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 129393796

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide (CID 112771665) is 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide is COc1ccccc1C(=O)NCC(=O)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide?
The InChIKey is OPEIEHQTIJDUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2)13-9-10-20(19,3)16(11-13)22-17(23)12-21-18(24)14-7-5-6-8-15(14)25-4/h5-8,13,16H,9-12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide has a molecular weight of 344.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]benzamide is sourced from PubChem (CID 112771665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).