3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide

C22H28N2O2 — CID 124791514

IUPAC3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C22H28N2O2/c25-21-8-3-9-24(21)13-14-4-1-5-15(10-14)22(26)23-20-12-16-11-19(20)18-7-2-6-17(16)18/h1,4-5,10,16-20H,2-3,6-9,11-13H2,(H,23,26)/t16-,17-,18+,19+,20-/m1/s1
InChIKeyDPELPGGWHRAUIZ-SWBPCFCJSA-N
MW352.48 g/mol
LogP3.36
Rot. Bonds4

About 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide

3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide (PubChem CID 124791514) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide.

Molecular Properties

Compound Name3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
PubChem CID124791514
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C22H28N2O2/c25-21-8-3-9-24(21)13-14-4-1-5-15(10-14)22(26)23-20-12-16-11-19(20)18-7-2-6-17(16)18/h1,4-5,10,16-20H,2-3,6-9,11-13H2,(H,23,26)/t16-,17-,18+,19+,20-/m1/s1
InChIKeyDPELPGGWHRAUIZ-SWBPCFCJSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066743
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
The IUPAC name of 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide (CID 124791514) is 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide.
What is the SMILES notation for 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
The canonical SMILES for 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide is O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
The InChIKey is DPELPGGWHRAUIZ-SWBPCFCJSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21-8-3-9-24(21)13-14-4-1-5-15(10-14)22(26)23-20-12-16-11-19(20)18-7-2-6-17(16)18/h1,4-5,10,16-20H,2-3,6-9,11-13H2,(H,23,26)/t16-,17-,18+,19+,20-/m1/s1.
What are the key properties of 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide is sourced from PubChem (CID 124791514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).