N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide

C21H24N2O4 — CID 113190754

IUPACN-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C21H24N2O4/c1-26-13-7-12-22-21(25)16-14-20(24)23(15-16)18-10-5-6-11-19(18)27-17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,25)
InChIKeyQFTFIMGQBOHLIM-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.98
Rot. Bonds8

About N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide

N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113190754) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113190754
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C21H24N2O4/c1-26-13-7-12-22-21(25)16-14-20(24)23(15-16)18-10-5-6-11-19(18)27-17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,25)
InChIKeyQFTFIMGQBOHLIM-UHFFFAOYSA-N
XLogP2.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17187446
(3R)-1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9351564
N-(2-methoxyethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190080
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
1-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17151802
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188241
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
1-(2-ethoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55407338
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113188043
1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 55803413
(3S)-N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018312

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 113190754) is N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide is COCCCNC(=O)C1CC(=O)N(c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QFTFIMGQBOHLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-13-7-12-22-21(25)16-14-20(24)23(15-16)18-10-5-6-11-19(18)27-17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,25).
What are the key properties of N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide?
N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113190754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).