N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C24H24N2O5 — CID 108754354

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C4CC(=O)N(C(C)C)C4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H24N2O5/c1-14(2)26-13-16(10-23(26)28)24(29)25-17-6-4-15(5-7-17)22-12-20(27)19-11-18(30-3)8-9-21(19)31-22/h4-9,11-12,14,16H,10,13H2,1-3H3,(H,25,29)
InChIKeyNBKFQOWLKMXYKB-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108754354) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108754354
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C4CC(=O)N(C(C)C)C4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H24N2O5/c1-14(2)26-13-16(10-23(26)28)24(29)25-17-6-4-15(5-7-17)22-12-20(27)19-11-18(30-3)8-9-21(19)31-22/h4-9,11-12,14,16H,10,13H2,1-3H3,(H,25,29)
InChIKeyNBKFQOWLKMXYKB-UHFFFAOYSA-N
XLogP3.66
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317
N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119791
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide
CID 108730677
(3S)-5-oxo-1-propan-2-yl-N-(4-prop-2-enoxyphenyl)pyrrolidine-3-carboxamide
CID 7256139
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182204
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
CID 108754377

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108754354) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is COc1ccc2oc(-c3ccc(NC(=O)C4CC(=O)N(C(C)C)C4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NBKFQOWLKMXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14(2)26-13-16(10-23(26)28)24(29)25-17-6-4-15(5-7-17)22-12-20(27)19-11-18(30-3)8-9-21(19)31-22/h4-9,11-12,14,16H,10,13H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108754354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).