(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide

C26H31N3O3 — CID 5459731

IUPAC(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
SMILESC[C@@H]1C=C[C@](Cc2ccccc2)(C(=O)NCCN2CCOCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-21-12-13-26(20-22-8-4-2-5-9-22,29(21)24(30)23-10-6-3-7-11-23)25(31)27-14-15-28-16-18-32-19-17-28/h2-13,21H,14-20H2,1H3,(H,27,31)/t21-,26+/m1/s1
InChIKeyIMGQSBWUHXRAII-RLWLMLJZSA-N
MW433.55 g/mol
LogP2.52
Rot. Bonds7

About (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide

(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide (PubChem CID 5459731) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
PubChem CID5459731
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
SMILESC[C@@H]1C=C[C@](Cc2ccccc2)(C(=O)NCCN2CCOCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-21-12-13-26(20-22-8-4-2-5-9-22,29(21)24(30)23-10-6-3-7-11-23)25(31)27-14-15-28-16-18-32-19-17-28/h2-13,21H,14-20H2,1H3,(H,27,31)/t21-,26+/m1/s1
InChIKeyIMGQSBWUHXRAII-RLWLMLJZSA-N
XLogP2.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 46110761
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
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CID 108517517
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
(Z)-N-(2-morpholin-4-ylethyl)-2,3-diphenylprop-2-enamide
CID 890168
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl] benzenecarbodithioate
CID 87805860

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide (CID 5459731) is (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide is C[C@@H]1C=C[C@](Cc2ccccc2)(C(=O)NCCN2CCOCC2)N1C(=O)c1ccccc1.
What is the InChIKey of (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The InChIKey is IMGQSBWUHXRAII-RLWLMLJZSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-21-12-13-26(20-22-8-4-2-5-9-22,29(21)24(30)23-10-6-3-7-11-23)25(31)27-14-15-28-16-18-32-19-17-28/h2-13,21H,14-20H2,1H3,(H,27,31)/t21-,26+/m1/s1.
What are the key properties of (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).