N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide

C18H26N2O — CID 23583191

IUPACN-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O/c1-19-5-3-4-16(19)12-20(2)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h3-5,13-15H,6-12H2,1-2H3
InChIKeyWECXXIXHKMZMPW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.20
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide

N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide (PubChem CID 23583191) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide
PubChem CID23583191
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O/c1-19-5-3-4-16(19)12-20(2)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h3-5,13-15H,6-12H2,1-2H3
InChIKeyWECXXIXHKMZMPW-UHFFFAOYSA-N
XLogP3.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide (CID 23583191) is N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide is CN(Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide?
The InChIKey is WECXXIXHKMZMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-5-3-4-16(19)12-20(2)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h3-5,13-15H,6-12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide?
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 23583191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).