N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide

C17H28N2O — CID 60711839

IUPACN-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCCN1
InChIInChI=1S/C17H28N2O/c1-19(16(20)15-3-2-4-18-15)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15,18H,2-11H2,1H3
InChIKeyAPGFWLGBZAEUPI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.41
Rot. Bonds3

About N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide

N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 60711839) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID60711839
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCCN1
InChIInChI=1S/C17H28N2O/c1-19(16(20)15-3-2-4-18-15)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15,18H,2-11H2,1H3
InChIKeyAPGFWLGBZAEUPI-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
(2R)-N-(1-adamantylmethyl)pyrrolidine-2-carboxamide
CID 103793910
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
CID 112698005
(2R)-N-methyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 103885144
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
(2S)-N,N-dimethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 143692131
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 141072279

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide (CID 60711839) is N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCCN1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is APGFWLGBZAEUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(16(20)15-3-2-4-18-15)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15,18H,2-11H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide?
N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60711839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).