N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide

C21H26N2O2 — CID 51213619

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H26N2O2/c24-19-5-2-6-23(19)18-4-1-3-17(12-18)22-21(25)20-15-8-13-7-14(10-15)11-16(20)9-13/h1,3-4,12-16,20H,2,5-11H2,(H,22,25)
InChIKeyDJRJFHNOJXHFFM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.82
Rot. Bonds3

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide (PubChem CID 51213619) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
PubChem CID51213619
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H26N2O2/c24-19-5-2-6-23(19)18-4-1-3-17(12-18)22-21(25)20-15-8-13-7-14(10-15)11-16(20)9-13/h1,3-4,12-16,20H,2,5-11H2,(H,22,25)
InChIKeyDJRJFHNOJXHFFM-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-cyclopentyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71912128
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46424968
(1'S,5'R)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 26002265
(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 33173212
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide (CID 51213619) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide?
The InChIKey is DJRJFHNOJXHFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-19-5-2-6-23(19)18-4-1-3-17(12-18)22-21(25)20-15-8-13-7-14(10-15)11-16(20)9-13/h1,3-4,12-16,20H,2,5-11H2,(H,22,25).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide is sourced from PubChem (CID 51213619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).