(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide

C25H32N4O2 — CID 70690145

IUPAC(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C25H32N4O2/c30-24(27-13-11-19-7-3-1-4-8-19)22-15-26-16-23(22)25(31)28-21-12-14-29(18-21)17-20-9-5-2-6-10-20/h1-10,21-23,26H,11-18H2,(H,27,30)(H,28,31)/t21?,22-,23+/m0/s1
InChIKeySQQVCLMJPULEPM-ATTQYFOMSA-N
MW420.56 g/mol
LogP1.57
Rot. Bonds8

About (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide

(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide (PubChem CID 70690145) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
PubChem CID70690145
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C25H32N4O2/c30-24(27-13-11-19-7-3-1-4-8-19)22-15-26-16-23(22)25(31)28-21-12-14-29(18-21)17-20-9-5-2-6-10-20/h1-10,21-23,26H,11-18H2,(H,27,30)(H,28,31)/t21?,22-,23+/m0/s1
InChIKeySQQVCLMJPULEPM-ATTQYFOMSA-N
XLogP1.57
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide (CID 70690145) is (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide is O=C(NCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
The InChIKey is SQQVCLMJPULEPM-ATTQYFOMSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(27-13-11-19-7-3-1-4-8-19)22-15-26-16-23(22)25(31)28-21-12-14-29(18-21)17-20-9-5-2-6-10-20/h1-10,21-23,26H,11-18H2,(H,27,30)(H,28,31)/t21?,22-,23+/m0/s1.
What are the key properties of (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide?
(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide has a molecular weight of 420.56 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 70690145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).