N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide

C19H18N2O — CID 100940679

IUPACN-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide
SMILESCNc1cccc2cccc(N(C)[13C](=O)c3ccccc3)c12
InChIInChI=1S/C19H18N2O/c1-20-16-12-6-10-14-11-7-13-17(18(14)16)21(2)19(22)15-8-4-3-5-9-15/h3-13,20H,1-2H3/i19+1
InChIKeyRHHGHCGELFJXDG-QHPTYGIKSA-N
MW291.36 g/mol
LogP4.16
Rot. Bonds3

About N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide

N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide (PubChem CID 100940679) has the molecular formula C19H18N2O and a molecular weight of 291.36 g/mol. Its IUPAC name is N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide.

Molecular Properties

Compound NameN-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide
PubChem CID100940679
Molecular FormulaC19H18N2O
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC NameN-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide
SMILESCNc1cccc2cccc(N(C)[13C](=O)c3ccccc3)c12
InChIInChI=1S/C19H18N2O/c1-20-16-12-6-10-14-11-7-13-17(18(14)16)21(2)19(22)15-8-4-3-5-9-15/h3-13,20H,1-2H3/i19+1
InChIKeyRHHGHCGELFJXDG-QHPTYGIKSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide?
The IUPAC name of N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide (CID 100940679) is N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide.
What is the SMILES notation for N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide?
The canonical SMILES for N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide is CNc1cccc2cccc(N(C)[13C](=O)c3ccccc3)c12.
What is the InChIKey of N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide?
The InChIKey is RHHGHCGELFJXDG-QHPTYGIKSA-N. The full InChI is InChI=1S/C19H18N2O/c1-20-16-12-6-10-14-11-7-13-17(18(14)16)21(2)19(22)15-8-4-3-5-9-15/h3-13,20H,1-2H3/i19+1.
What are the key properties of N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide?
N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide has a molecular weight of 291.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide is sourced from PubChem (CID 100940679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).