(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide

C22H27N3O2 — CID 154961382

IUPAC(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CNC[C@@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H27N3O2/c26-21(24-13-11-17-7-3-1-4-8-17)19-15-23-16-20(19)22(27)25-14-12-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2,(H,24,26)(H,25,27)/t19-,20-/m0/s1
InChIKeyISCYDERZTWTQNF-PMACEKPBSA-N
MW365.48 g/mol
LogP1.54
Rot. Bonds8

About (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide

(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide (PubChem CID 154961382) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
PubChem CID154961382
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CNC[C@@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H27N3O2/c26-21(24-13-11-17-7-3-1-4-8-17)19-15-23-16-20(19)22(27)25-14-12-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2,(H,24,26)(H,25,27)/t19-,20-/m0/s1
InChIKeyISCYDERZTWTQNF-PMACEKPBSA-N
XLogP1.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 70690145
6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2900767
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
(3S,4R)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 68609563
3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 175163144
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide (CID 154961382) is (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide is O=C(NCCc1ccccc1)[C@H]1CNC[C@@H]1C(=O)NCCc1ccccc1.
What is the InChIKey of (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
The InChIKey is ISCYDERZTWTQNF-PMACEKPBSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(24-13-11-17-7-3-1-4-8-17)19-15-23-16-20(19)22(27)25-14-12-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2,(H,24,26)(H,25,27)/t19-,20-/m0/s1.
What are the key properties of (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 154961382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).