3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide

C24H27N2O+ — CID 8701638

IUPAC3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)c1
InChIInChI=1S/C24H26N2O/c1-18-8-6-11-20(16-18)24(27)25-17-23(26-14-4-5-15-26)22-13-7-10-19-9-2-3-12-21(19)22/h2-3,6-13,16,23H,4-5,14-15,17H2,1H3,(H,25,27)/p+1/t23-/m0/s1
InChIKeyLVHDIUMLQFUYBH-QHCPKHFHSA-O
MW359.49 g/mol
LogP3.30
Rot. Bonds5

About 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide

3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide (PubChem CID 8701638) has the molecular formula C24H27N2O+ and a molecular weight of 359.49 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
PubChem CID8701638
Molecular FormulaC24H27N2O+
Molecular Weight359.49 g/mol
Exact Mass359.21
IUPAC Name3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)c1
InChIInChI=1S/C24H26N2O/c1-18-8-6-11-20(16-18)24(27)25-17-23(26-14-4-5-15-26)22-13-7-10-19-9-2-3-12-21(19)22/h2-3,6-13,16,23H,4-5,14-15,17H2,1H3,(H,25,27)/p+1/t23-/m0/s1
InChIKeyLVHDIUMLQFUYBH-QHCPKHFHSA-O
XLogP3.30
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 8701609
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methylbenzamide
CID 7497270
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-3-methylbenzamide
CID 7496907
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-methylphenyl)thiourea
CID 8658670
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
The IUPAC name of 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide (CID 8701638) is 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
The canonical SMILES for 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide is Cc1cccc(C(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)c1.
What is the InChIKey of 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
The InChIKey is LVHDIUMLQFUYBH-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H26N2O/c1-18-8-6-11-20(16-18)24(27)25-17-23(26-14-4-5-15-26)22-13-7-10-19-9-2-3-12-21(19)22/h2-3,6-13,16,23H,4-5,14-15,17H2,1H3,(H,25,27)/p+1/t23-/m0/s1.
What are the key properties of 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide has a molecular weight of 359.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide is sourced from PubChem (CID 8701638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).