5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide

C14H18N2O5 — CID 110689736

IUPAC5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(=O)N2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-19-10-6-8(7-11(20-2)13(10)21-3)15-14(18)9-4-5-12(17)16-9/h6-7,9H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIKBKLWRKHLQIIC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.93
Rot. Bonds5

About 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide

5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 110689736) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID110689736
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(=O)N2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-19-10-6-8(7-11(20-2)13(10)21-3)15-14(18)9-4-5-12(17)16-9/h6-7,9H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIKBKLWRKHLQIIC-UHFFFAOYSA-N
XLogP0.93
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-oxo-N-[4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 42590179
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 42889996
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide (CID 110689736) is 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide is COc1cc(NC(=O)C2CCC(=O)N2)cc(OC)c1OC.
What is the InChIKey of 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IKBKLWRKHLQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-10-6-8(7-11(20-2)13(10)21-3)15-14(18)9-4-5-12(17)16-9/h6-7,9H,4-5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110689736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).