N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C14H18N2O4 — CID 110792994

IUPACN-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCC(=O)N2)cc1OC
InChIInChI=1S/C14H18N2O4/c1-8-6-11(19-2)12(20-3)7-10(8)16-14(18)9-4-5-13(17)15-9/h6-7,9H,4-5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOXEFIKDFVMSOHE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.23
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110792994) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110792994
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCC(=O)N2)cc1OC
InChIInChI=1S/C14H18N2O4/c1-8-6-11(19-2)12(20-3)7-10(8)16-14(18)9-4-5-13(17)15-9/h6-7,9H,4-5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOXEFIKDFVMSOHE-UHFFFAOYSA-N
XLogP1.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794314
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098
N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 25249643
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714118

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110792994) is N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is COc1cc(C)c(NC(=O)C2CCC(=O)N2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OXEFIKDFVMSOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-6-11(19-2)12(20-3)7-10(8)16-14(18)9-4-5-13(17)15-9/h6-7,9H,4-5H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110792994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).