N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

C22H20N2O3 — CID 18573346

IUPACN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)c3cccc4ccccc34)CC2=O)c1
InChIInChI=1S/C22H20N2O3/c1-27-18-9-5-8-17(13-18)24-14-16(12-21(24)25)23-22(26)20-11-4-7-15-6-2-3-10-19(15)20/h2-11,13,16H,12,14H2,1H3,(H,23,26)
InChIKeyCTSSAWXPCLPUNW-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 18573346) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID18573346
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)c3cccc4ccccc34)CC2=O)c1
InChIInChI=1S/C22H20N2O3/c1-27-18-9-5-8-17(13-18)24-14-16(12-21(24)25)23-22(26)20-11-4-7-15-6-2-3-10-19(15)20/h2-11,13,16H,12,14H2,1H3,(H,23,26)
InChIKeyCTSSAWXPCLPUNW-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (CID 18573346) is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is COc1cccc(N2CC(NC(=O)c3cccc4ccccc34)CC2=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is CTSSAWXPCLPUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-18-9-5-8-17(13-18)24-14-16(12-21(24)25)23-22(26)20-11-4-7-15-6-2-3-10-19(15)20/h2-11,13,16H,12,14H2,1H3,(H,23,26).
What are the key properties of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 18573346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).