4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide

C25H29N2O2+ — CID 8701609

IUPAC4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-2-29-21-14-12-20(13-15-21)25(28)26-18-24(27-16-5-6-17-27)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,24H,2,5-6,16-18H2,1H3,(H,26,28)/p+1/t24-/m0/s1
InChIKeyJLJPTJVBHGMBSI-DEOSSOPVSA-O
MW389.52 g/mol
LogP3.39
Rot. Bonds7

About 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide

4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide (PubChem CID 8701609) has the molecular formula C25H29N2O2+ and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
PubChem CID8701609
Molecular FormulaC25H29N2O2+
Molecular Weight389.52 g/mol
Exact Mass389.22
IUPAC Name4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-2-29-21-14-12-20(13-15-21)25(28)26-18-24(27-16-5-6-17-27)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,24H,2,5-6,16-18H2,1H3,(H,26,28)/p+1/t24-/m0/s1
InChIKeyJLJPTJVBHGMBSI-DEOSSOPVSA-O
XLogP3.39
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 8701638
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
CID 18589070
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751729
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751731
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
CID 113273443
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide (CID 8701609) is 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide is CCOc1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
The InChIKey is JLJPTJVBHGMBSI-DEOSSOPVSA-O. The full InChI is InChI=1S/C25H28N2O2/c1-2-29-21-14-12-20(13-15-21)25(28)26-18-24(27-16-5-6-17-27)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,24H,2,5-6,16-18H2,1H3,(H,26,28)/p+1/t24-/m0/s1.
What are the key properties of 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide?
4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide is sourced from PubChem (CID 8701609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).