N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide

C19H24N2O4 — CID 175517211

IUPACN-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(C=CC2CCOCC2)cc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C19H24N2O4/c1-24-17-6-4-14(3-2-13-8-10-25-11-9-13)12-16(17)21-19(23)15-5-7-18(22)20-15/h2-4,6,12-13,15H,5,7-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyJELHKAWWEUHHKA-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.35
Rot. Bonds5

About N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide

N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 175517211) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID175517211
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(C=CC2CCOCC2)cc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C19H24N2O4/c1-24-17-6-4-14(3-2-13-8-10-25-11-9-13)12-16(17)21-19(23)15-5-7-18(22)20-15/h2-4,6,12-13,15H,5,7-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyJELHKAWWEUHHKA-UHFFFAOYSA-N
XLogP2.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide
CID 175517227
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
(3R)-N-(2,5-dimethoxyphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 100825016
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 112765279

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide (CID 175517211) is N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(C=CC2CCOCC2)cc1NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JELHKAWWEUHHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-17-6-4-14(3-2-13-8-10-25-11-9-13)12-16(17)21-19(23)15-5-7-18(22)20-15/h2-4,6,12-13,15H,5,7-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 175517211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).