methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate

C22H28N2O2 — CID 134974573

IUPACmethyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate
SMILESCCN(CC)c1cc(-c2ccccc2)c(C(=O)OC)c(N2CCCC2)c1
InChIInChI=1S/C22H28N2O2/c1-4-23(5-2)18-15-19(17-11-7-6-8-12-17)21(22(25)26-3)20(16-18)24-13-9-10-14-24/h6-8,11-12,15-16H,4-5,9-10,13-14H2,1-3H3
InChIKeyDCHMXTSQITZGTD-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.59
Rot. Bonds6

About methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate

methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate (PubChem CID 134974573) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate
PubChem CID134974573
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Namemethyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate
SMILESCCN(CC)c1cc(-c2ccccc2)c(C(=O)OC)c(N2CCCC2)c1
InChIInChI=1S/C22H28N2O2/c1-4-23(5-2)18-15-19(17-11-7-6-8-12-17)21(22(25)26-3)20(16-18)24-13-9-10-14-24/h6-8,11-12,15-16H,4-5,9-10,13-14H2,1-3H3
InChIKeyDCHMXTSQITZGTD-UHFFFAOYSA-N
XLogP4.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(azetidin-1-yl)benzoate
CID 131095388
4-phenyl-3-piperidin-1-ylphenol
CID 154350048
methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate
CID 66993576
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
CID 168515414
methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71762856
methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 625236
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
ethyl 2-hydroxy-4-methyl-6-pyrrolidin-1-ylbenzoate
CID 12596796
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837

Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate?
The IUPAC name of methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate (CID 134974573) is methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate?
The canonical SMILES for methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate is CCN(CC)c1cc(-c2ccccc2)c(C(=O)OC)c(N2CCCC2)c1.
What is the InChIKey of methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate?
The InChIKey is DCHMXTSQITZGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-23(5-2)18-15-19(17-11-7-6-8-12-17)21(22(25)26-3)20(16-18)24-13-9-10-14-24/h6-8,11-12,15-16H,4-5,9-10,13-14H2,1-3H3.
What are the key properties of methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate?
methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate has a molecular weight of 352.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-2-phenyl-6-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 134974573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).