N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

C22H24N2O3 — CID 156602098

IUPACN-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESCCOc1ccc(C(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)cc1
InChIInChI=1S/C22H24N2O3/c1-2-27-18-10-8-17(9-11-18)22(26)24-14-15-12-19(20(24)13-15)23-21(25)16-6-4-3-5-7-16/h3-11,15,19-20H,2,12-14H2,1H3,(H,23,25)
InChIKeyRVZZAPDVSBGNSP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (PubChem CID 156602098) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
PubChem CID156602098
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESCCOc1ccc(C(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)cc1
InChIInChI=1S/C22H24N2O3/c1-2-27-18-10-8-17(9-11-18)22(26)24-14-15-12-19(20(24)13-15)23-21(25)16-6-4-3-5-7-16/h3-11,15,19-20H,2,12-14H2,1H3,(H,23,25)
InChIKeyRVZZAPDVSBGNSP-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184790
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 86771638
(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 91903403
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970845
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The IUPAC name of N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (CID 156602098) is N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.
What is the SMILES notation for N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The canonical SMILES for N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is CCOc1ccc(C(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)cc1.
What is the InChIKey of N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The InChIKey is RVZZAPDVSBGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-27-18-10-8-17(9-11-18)22(26)24-14-15-12-19(20(24)13-15)23-21(25)16-6-4-3-5-7-16/h3-11,15,19-20H,2,12-14H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is sourced from PubChem (CID 156602098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).