N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide

C20H28N2O2 — CID 46559225

IUPACN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1C
InChIInChI=1S/C20H28N2O2/c1-12-4-6-17(8-13(12)2)20(24)21-11-19(23)22-14(3)18-10-15-5-7-16(18)9-15/h4,6,8,14-16,18H,5,7,9-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRZADQAZRVNYGLF-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.97
Rot. Bonds5

About N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 46559225) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID46559225
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1C
InChIInChI=1S/C20H28N2O2/c1-12-4-6-17(8-13(12)2)20(24)21-11-19(23)22-14(3)18-10-15-5-7-16(18)9-15/h4,6,8,14-16,18H,5,7,9-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRZADQAZRVNYGLF-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 98620309
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 51163154
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51163155
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 51163159
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 43054046
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 42908953
2-amino-N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]acetamide
CID 60848983
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 98752036
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46559235
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 98613263
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 46559225) is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1C.
What is the InChIKey of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is RZADQAZRVNYGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-12-4-6-17(8-13(12)2)20(24)21-11-19(23)22-14(3)18-10-15-5-7-16(18)9-15/h4,6,8,14-16,18H,5,7,9-11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 328.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 46559225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).