N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide

C20H28N2O3 — CID 46449850

IUPACN-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C20H28N2O3/c1-13(17-12-14-7-8-15(17)11-14)22-19(23)9-10-21-20(24)16-5-3-4-6-18(16)25-2/h3-6,13-15,17H,7-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFOULOZRIUIQZKU-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.76
Rot. Bonds7

About N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 46449850) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID46449850
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C20H28N2O3/c1-13(17-12-14-7-8-15(17)11-14)22-19(23)9-10-21-20(24)16-5-3-4-6-18(16)25-2/h3-6,13-15,17H,7-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFOULOZRIUIQZKU-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-chlorobenzamide
CID 4834741
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 42908953
2-[2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 98688995
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43009006
2-[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 98304234
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112782384
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 4287753
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-oxobutanoate
CID 108808723
[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 98292307
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 129376495

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide (CID 46449850) is N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is FOULOZRIUIQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13(17-12-14-7-8-15(17)11-14)22-19(23)9-10-21-20(24)16-5-3-4-6-18(16)25-2/h3-6,13-15,17H,7-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 344.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 46449850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).