N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide

C18H20N2O5 — CID 124852371

IUPACN-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide
SMILESCOCCN1C[C@H](NC(=O)c2cc(=O)c3ccc(C)cc3o2)CC1=O
InChIInChI=1S/C18H20N2O5/c1-11-3-4-13-14(21)9-16(25-15(13)7-11)18(23)19-12-8-17(22)20(10-12)5-6-24-2/h3-4,7,9,12H,5-6,8,10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyURDACQVTHMEJRO-GFCCVEGCSA-N
MW344.37 g/mol
LogP1.08
Rot. Bonds5

About N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide

N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide (PubChem CID 124852371) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide
PubChem CID124852371
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide
SMILESCOCCN1C[C@H](NC(=O)c2cc(=O)c3ccc(C)cc3o2)CC1=O
InChIInChI=1S/C18H20N2O5/c1-11-3-4-13-14(21)9-16(25-15(13)7-11)18(23)19-12-8-17(22)20(10-12)5-6-24-2/h3-4,7,9,12H,5-6,8,10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyURDACQVTHMEJRO-GFCCVEGCSA-N
XLogP1.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 56895748
N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91775311
4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide
CID 71936874
2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 91761715
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide
CID 118782519
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 56900894
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide (CID 124852371) is N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide is COCCN1C[C@H](NC(=O)c2cc(=O)c3ccc(C)cc3o2)CC1=O.
What is the InChIKey of N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide?
The InChIKey is URDACQVTHMEJRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-3-4-13-14(21)9-16(25-15(13)7-11)18(23)19-12-8-17(22)20(10-12)5-6-24-2/h3-4,7,9,12H,5-6,8,10H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide?
N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 124852371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).