2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide

C25H28N2O3 — CID 16813216

IUPAC2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NCC(c2cccc3ccccc23)N2CCCC2)c1OC
InChIInChI=1S/C25H28N2O3/c1-29-23-14-8-13-21(24(23)30-2)25(28)26-17-22(27-15-5-6-16-27)20-12-7-10-18-9-3-4-11-19(18)20/h3-4,7-14,22H,5-6,15-17H2,1-2H3,(H,26,28)
InChIKeyLRQDEZRJUMWORR-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.42
Rot. Bonds7

About 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide

2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 16813216) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID16813216
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NCC(c2cccc3ccccc23)N2CCCC2)c1OC
InChIInChI=1S/C25H28N2O3/c1-29-23-14-8-13-21(24(23)30-2)25(28)26-17-22(27-15-5-6-16-27)20-12-7-10-18-9-3-4-11-19(18)20/h3-4,7-14,22H,5-6,15-17H2,1-2H3,(H,26,28)
InChIKeyLRQDEZRJUMWORR-UHFFFAOYSA-N
XLogP4.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 30522477
2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 51641015
N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454719
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide (CID 16813216) is 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide is COc1cccc(C(=O)NCC(c2cccc3ccccc23)N2CCCC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is LRQDEZRJUMWORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-29-23-14-8-13-21(24(23)30-2)25(28)26-17-22(27-15-5-6-16-27)20-12-7-10-18-9-3-4-11-19(18)20/h3-4,7-14,22H,5-6,15-17H2,1-2H3,(H,26,28).
What are the key properties of 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide?
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 16813216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).