2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C21H28N2O3 — CID 43013855

IUPAC2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H28N2O3/c24-20(12-16-11-14-7-8-15(16)10-14)23-19-6-2-1-5-18(19)21(25)22-13-17-4-3-9-26-17/h1-2,5-6,14-17H,3-4,7-13H2,(H,22,25)(H,23,24)
InChIKeyZHZCNXFESJSYFN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds6

About 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43013855) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43013855
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H28N2O3/c24-20(12-16-11-14-7-8-15(16)10-14)23-19-6-2-1-5-18(19)21(25)22-13-17-4-3-9-26-17/h1-2,5-6,14-17H,3-4,7-13H2,(H,22,25)(H,23,24)
InChIKeyZHZCNXFESJSYFN-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98298900
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46616572
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 43013855) is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CC1CC2CCC1C2)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is ZHZCNXFESJSYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(12-16-11-14-7-8-15(16)10-14)23-19-6-2-1-5-18(19)21(25)22-13-17-4-3-9-26-17/h1-2,5-6,14-17H,3-4,7-13H2,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 356.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43013855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).