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

C17H28N2O — CID 136518757

IUPACN-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c1-19-4-2-3-16(19)17(20)18-10-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-16H,2-10H2,1H3,(H,18,20)
InChIKeyKKWCIIBYOAJFNL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.27
Rot. Bonds3

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

N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 136518757) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide
PubChem CID136518757
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c1-19-4-2-3-16(19)17(20)18-10-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-16H,2-10H2,1H3,(H,18,20)
InChIKeyKKWCIIBYOAJFNL-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide (CID 136518757) is N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is KKWCIIBYOAJFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19-4-2-3-16(19)17(20)18-10-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-16H,2-10H2,1H3,(H,18,20).
What are the key properties of N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide?
N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136518757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).