(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide

C20H24N2O2 — CID 51855939

IUPAC(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-24-18-12-10-17(11-13-18)21-20(23)22-14-4-5-19(22)16-8-6-15(2)7-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeySJSWTPVZJISHTO-IBGZPJMESA-N
MW324.42 g/mol
LogP4.76
Rot. Bonds4

About (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide

(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51855939) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID51855939
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-24-18-12-10-17(11-13-18)21-20(23)22-14-4-5-19(22)16-8-6-15(2)7-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeySJSWTPVZJISHTO-IBGZPJMESA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
ethyl 2-[4-[[2-(4-methylphenyl)azepane-1-carbonyl]amino]phenyl]acetate
CID 47002038
ethyl 2-[4-[[(2R)-2-(4-methylphenyl)azepane-1-carbonyl]amino]phenyl]acetate
CID 93076746
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 51855939) is (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SJSWTPVZJISHTO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-24-18-12-10-17(11-13-18)21-20(23)22-14-4-5-19(22)16-8-6-15(2)7-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51855939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).