1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide

C23H28N2O5 — CID 55654265

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)N(C)CCCOc3ccccc3)CC2=O)c1
InChIInChI=1S/C23H28N2O5/c1-24(12-7-13-30-18-8-5-4-6-9-18)23(27)17-14-22(26)25(16-17)20-15-19(28-2)10-11-21(20)29-3/h4-6,8-11,15,17H,7,12-14,16H2,1-3H3
InChIKeyCMMULMNRQBSAET-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.98
Rot. Bonds9

About 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide

1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide (PubChem CID 55654265) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide
PubChem CID55654265
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)N(C)CCCOc3ccccc3)CC2=O)c1
InChIInChI=1S/C23H28N2O5/c1-24(12-7-13-30-18-8-5-4-6-9-18)23(27)17-14-22(26)25(16-17)20-15-19(28-2)10-11-21(20)29-3/h4-6,8-11,15,17H,7,12-14,16H2,1-3H3
InChIKeyCMMULMNRQBSAET-UHFFFAOYSA-N
XLogP2.98
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55575180
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581
(3R)-1-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94039761
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 112790477
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
(4S)-1-(2,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 31370542
3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119233252
methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate
CID 134033372
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97116300

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide (CID 55654265) is 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CC(C(=O)N(C)CCCOc3ccccc3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is CMMULMNRQBSAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-24(12-7-13-30-18-8-5-4-6-9-18)23(27)17-14-22(26)25(16-17)20-15-19(28-2)10-11-21(20)29-3/h4-6,8-11,15,17H,7,12-14,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55654265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).