N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide

C21H29N3O2 — CID 97010582

IUPACN-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C21H29N3O2/c25-19(24-6-2-4-18(24)17-3-1-5-22-17)13-23-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h1,3,5,14-16,18,22H,2,4,6-13H2,(H,23,26)/t14?,15?,16?,18-,21?/m1/s1
InChIKeyHIQNAUDRQDGZLM-DIKOGFFKSA-N
MW355.48 g/mol
LogP3.01
Rot. Bonds4

About N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide

N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide (PubChem CID 97010582) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide
PubChem CID97010582
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C21H29N3O2/c25-19(24-6-2-4-18(24)17-3-1-5-22-17)13-23-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h1,3,5,14-16,18,22H,2,4,6-13H2,(H,23,26)/t14?,15?,16?,18-,21?/m1/s1
InChIKeyHIQNAUDRQDGZLM-DIKOGFFKSA-N
XLogP3.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 55924693
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455
(2R)-N-[(1-cyclopropylcyclobutyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 99634075
2-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]sulfanylacetic acid
CID 104569593
2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 47028445
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
5-bromo-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 107909521
N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 51925999
[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
2-(2-aminophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 61108059
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 79203456

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide (CID 97010582) is N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1c1ccc[nH]1.
What is the InChIKey of N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide?
The InChIKey is HIQNAUDRQDGZLM-DIKOGFFKSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-19(24-6-2-4-18(24)17-3-1-5-22-17)13-23-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h1,3,5,14-16,18,22H,2,4,6-13H2,(H,23,26)/t14?,15?,16?,18-,21?/m1/s1.
What are the key properties of N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide?
N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 97010582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).