N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C18H28N2O2 — CID 78859348

IUPACN-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1=O
InChIInChI=1S/C18H28N2O2/c1-10(2)20-9-15(8-16(20)21)18(22)19-17-13-4-11-3-12(6-13)7-14(17)5-11/h10-15,17H,3-9H2,1-2H3,(H,19,22)
InChIKeyFVDIOZRRRMPUBL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.18
Rot. Bonds3

About N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 78859348) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID78859348
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1=O
InChIInChI=1S/C18H28N2O2/c1-10(2)20-9-15(8-16(20)21)18(22)19-17-13-4-11-3-12(6-13)7-14(17)5-11/h10-15,17H,3-9H2,1-2H3,(H,19,22)
InChIKeyFVDIOZRRRMPUBL-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-oxo-N-[(3S)-2-oxothiolan-3-yl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400945
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
5-oxo-N-(6-oxopiperidin-3-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 62896987
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108539720
(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
N,N-diethyl-4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxamide
CID 108560686
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 78859348) is N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1=O.
What is the InChIKey of N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is FVDIOZRRRMPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-10(2)20-9-15(8-16(20)21)18(22)19-17-13-4-11-3-12(6-13)7-14(17)5-11/h10-15,17H,3-9H2,1-2H3,(H,19,22).
What are the key properties of N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 78859348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).