ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate

C22H26N2O3 — CID 22359901

IUPACethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(N(C)C(=O)c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-3-27-21(26)22(23(2)20(25)19-12-8-5-9-13-19)14-15-24(17-22)16-18-10-6-4-7-11-18/h4-13H,3,14-17H2,1-2H3
InChIKeyHBMMJKMLMTXGGI-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.97
Rot. Bonds6

About ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate

ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate (PubChem CID 22359901) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate
PubChem CID22359901
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(N(C)C(=O)c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-3-27-21(26)22(23(2)20(25)19-12-8-5-9-13-19)14-15-24(17-22)16-18-10-6-4-7-11-18/h4-13H,3,14-17H2,1-2H3
InChIKeyHBMMJKMLMTXGGI-UHFFFAOYSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
CID 54088114
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
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ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
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4-[(3-ethoxycarbonyl-3-propan-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 122033578
ethyl 1-benzyl-3-[2-(diethylamino)ethylamino]pyrrolidine-3-carboxylate
CID 113225276
ethyl 1-benzyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62353874
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate
CID 135019118
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate (CID 22359901) is ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate is CCOC(=O)C1(N(C)C(=O)c2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate?
The InChIKey is HBMMJKMLMTXGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-21(26)22(23(2)20(25)19-12-8-5-9-13-19)14-15-24(17-22)16-18-10-6-4-7-11-18/h4-13H,3,14-17H2,1-2H3.
What are the key properties of ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate?
ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate is sourced from PubChem (CID 22359901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).