N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H22N2O3 — CID 90578157

IUPACN-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H22N2O3/c28-24-17-20(18-27(24)21-11-2-1-3-12-21)25(29)26-15-6-7-16-30-23-14-8-10-19-9-4-5-13-22(19)23/h1-5,8-14,20H,15-18H2,(H,26,29)
InChIKeyUMXXGBUGMNFDEM-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.39
Rot. Bonds5

About N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 90578157) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID90578157
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H22N2O3/c28-24-17-20(18-27(24)21-11-2-1-3-12-21)25(29)26-15-6-7-16-30-23-14-8-10-19-9-4-5-13-22(19)23/h1-5,8-14,20H,15-18H2,(H,26,29)
InChIKeyUMXXGBUGMNFDEM-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
N-[3-(4-fluorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548213
N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548751
1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide
CID 90579860
(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369988
(3R)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369987
1-(4-methoxyphenyl)-5-oxo-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]pyrrolidine-3-carboxamide
CID 90575920
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide
CID 90579375
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide
CID 51332420

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 90578157) is N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCC#CCOc1cccc2ccccc12)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is UMXXGBUGMNFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-24-17-20(18-27(24)21-11-2-1-3-12-21)25(29)26-15-6-7-16-30-23-14-8-10-19-9-4-5-13-22(19)23/h1-5,8-14,20H,15-18H2,(H,26,29).
What are the key properties of N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90578157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).