N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C20H26ClN3O2 — CID 120653238

IUPACN-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-21-14(2)12-22-20(25)16-11-19(24)23(13-16)18-10-6-8-15-7-4-5-9-17(15)18;/h4-10,14,16,21H,3,11-13H2,1-2H3,(H,22,25);1H/t14-,16?;/m1./s1
InChIKeyBMKKNMMZPBRLDE-VHCCSVTPSA-N
MW375.90 g/mol
LogP2.73
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120653238) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120653238
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-21-14(2)12-22-20(25)16-11-19(24)23(13-16)18-10-6-8-15-7-4-5-9-17(15)18;/h4-10,14,16,21H,3,11-13H2,1-2H3,(H,22,25);1H/t14-,16?;/m1./s1
InChIKeyBMKKNMMZPBRLDE-VHCCSVTPSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119510489
1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120653013

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120653238) is N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BMKKNMMZPBRLDE-VHCCSVTPSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-3-21-14(2)12-22-20(25)16-11-19(24)23(13-16)18-10-6-8-15-7-4-5-9-17(15)18;/h4-10,14,16,21H,3,11-13H2,1-2H3,(H,22,25);1H/t14-,16?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120653238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).