N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide

C22H28N2O2 — CID 16918199

IUPACN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide
SMILESO=C1CC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CN1c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20-9-18(14-24(20)19-4-2-1-3-5-19)13-23-21(26)22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-14H2,(H,23,26)
InChIKeyONRNVKMJWUPWAY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.37
Rot. Bonds4

About N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide (PubChem CID 16918199) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide
PubChem CID16918199
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide
SMILESO=C1CC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CN1c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20-9-18(14-24(20)19-4-2-1-3-5-19)13-23-21(26)22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-14H2,(H,23,26)
InChIKeyONRNVKMJWUPWAY-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 40912799
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
3-cyclopentyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 16918197
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
2-(dimethylcarbamoylamino)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 125162032
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
CID 40926285
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide (CID 16918199) is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide is O=C1CC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CN1c1ccccc1.
What is the InChIKey of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide?
The InChIKey is ONRNVKMJWUPWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-20-9-18(14-24(20)19-4-2-1-3-5-19)13-23-21(26)22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-14H2,(H,23,26).
What are the key properties of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide?
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 16918199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).