3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide

C24H27N2O2+ — CID 9142487

IUPAC3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCc1ccccc1C[NH+]1CCCC1
InChIInChI=1S/C24H26N2O2/c1-28-23-15-19-9-3-2-8-18(19)14-22(23)24(27)25-16-20-10-4-5-11-21(20)17-26-12-6-7-13-26/h2-5,8-11,14-15H,6-7,12-13,16-17H2,1H3,(H,25,27)/p+1
InChIKeyUMFMPPBHDWEYEG-UHFFFAOYSA-O
MW375.49 g/mol
LogP2.96
Rot. Bonds6

About 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide

3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide (PubChem CID 9142487) has the molecular formula C24H27N2O2+ and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
PubChem CID9142487
Molecular FormulaC24H27N2O2+
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC Name3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCc1ccccc1C[NH+]1CCCC1
InChIInChI=1S/C24H26N2O2/c1-28-23-15-19-9-3-2-8-18(19)14-22(23)24(27)25-16-20-10-4-5-11-21(20)17-26-12-6-7-13-26/h2-5,8-11,14-15H,6-7,12-13,16-17H2,1H3,(H,25,27)/p+1
InChIKeyUMFMPPBHDWEYEG-UHFFFAOYSA-O
XLogP2.96
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9142461
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
(E)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8969655
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9143426
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
5-methoxy-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8969278
2-(3,4-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9142635
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810728
3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide
CID 92679628
3-[methoxy(methyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9143604

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide (CID 9142487) is 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCc1ccccc1C[NH+]1CCCC1.
What is the InChIKey of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
The InChIKey is UMFMPPBHDWEYEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O2/c1-28-23-15-19-9-3-2-8-18(19)14-22(23)24(27)25-16-20-10-4-5-11-21(20)17-26-12-6-7-13-26/h2-5,8-11,14-15H,6-7,12-13,16-17H2,1H3,(H,25,27)/p+1.
What are the key properties of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 9142487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).