N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H24N2O4 — CID 18193053

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NC3CCOc4ccccc43)CC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-2-27-17-9-7-16(8-10-17)24-14-15(13-21(24)25)22(26)23-19-11-12-28-20-6-4-3-5-18(19)20/h3-10,15,19H,2,11-14H2,1H3,(H,23,26)
InChIKeyINZRWWIYMDNGOU-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.08
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18193053) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18193053
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NC3CCOc4ccccc43)CC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-2-27-17-9-7-16(8-10-17)24-14-15(13-21(24)25)22(26)23-19-11-12-28-20-6-4-3-5-18(19)20/h3-10,15,19H,2,11-14H2,1H3,(H,23,26)
InChIKeyINZRWWIYMDNGOU-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55825930
N-(3,4-dihydro-2H-chromen-4-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108733838
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2641814
(3S)-1-(2-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 41105707
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109790
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
1-tert-butyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757191
(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8024266
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95132752
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
1-(4-butylphenyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108764770

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 18193053) is N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)NC3CCOc4ccccc43)CC2=O)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is INZRWWIYMDNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-27-17-9-7-16(8-10-17)24-14-15(13-21(24)25)22(26)23-19-11-12-28-20-6-4-3-5-18(19)20/h3-10,15,19H,2,11-14H2,1H3,(H,23,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18193053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).