N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide

C19H24N2O2 — CID 14528115

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C19H24N2O2/c1-3-21-10-6-9-16(21)13-20-19(22)17-11-14-7-4-5-8-15(14)12-18(17)23-2/h4-5,7-8,11-12,16H,3,6,9-10,13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyZBMMMNRPJAMYPT-INIZCTEOSA-N
MW312.41 g/mol
LogP3.06
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 14528115) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID14528115
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C19H24N2O2/c1-3-21-10-6-9-16(21)13-20-19(22)17-11-14-7-4-5-8-15(14)12-18(17)23-2/h4-5,7-8,11-12,16H,3,6,9-10,13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyZBMMMNRPJAMYPT-INIZCTEOSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide (CID 14528115) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide is CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is ZBMMMNRPJAMYPT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-21-10-6-9-16(21)13-20-19(22)17-11-14-7-4-5-8-15(14)12-18(17)23-2/h4-5,7-8,11-12,16H,3,6,9-10,13H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 14528115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).