N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C15H19N3O4 — CID 110794394

IUPACN-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N2)cc1NC(C)=O
InChIInChI=1S/C15H19N3O4/c1-9(19)17-12-7-10(3-5-13(12)22-2)8-16-15(21)11-4-6-14(20)18-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyXTFVYMQVFWDBOF-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.55
Rot. Bonds5

About N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110794394) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110794394
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N2)cc1NC(C)=O
InChIInChI=1S/C15H19N3O4/c1-9(19)17-12-7-10(3-5-13(12)22-2)8-16-15(21)11-4-6-14(20)18-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyXTFVYMQVFWDBOF-UHFFFAOYSA-N
XLogP0.55
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794314
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795519
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110794394) is N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(CNC(=O)C2CCC(=O)N2)cc1NC(C)=O.
What is the InChIKey of N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XTFVYMQVFWDBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9(19)17-12-7-10(3-5-13(12)22-2)8-16-15(21)11-4-6-14(20)18-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110794394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).