(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide

C22H25N3O3 — CID 93330810

IUPAC(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NN1CCOCC1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3/c26-21(23-24-12-14-28-15-13-24)19-10-11-25(22(19)27)20-9-5-4-8-18(20)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,26)/t19-/m0/s1
InChIKeyHCFSRLQWRNNNEM-IBGZPJMESA-N
MW379.46 g/mol
LogP1.99
Rot. Bonds5

About (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide

(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide (PubChem CID 93330810) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
PubChem CID93330810
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NN1CCOCC1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3/c26-21(23-24-12-14-28-15-13-24)19-10-11-25(22(19)27)20-9-5-4-8-18(20)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,26)/t19-/m0/s1
InChIKeyHCFSRLQWRNNNEM-IBGZPJMESA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
CID 92991111
(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 92986928
(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 93331810
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
1-benzyl-3-morpholin-4-ylurea
CID 107653208
N-(2-morpholin-4-ylethyl)-2-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42853624
benzyl N-morpholin-4-ylcarbamate
CID 54530052
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 112834405
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide (CID 93330810) is (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide is O=C(NN1CCOCC1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HCFSRLQWRNNNEM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(23-24-12-14-28-15-13-24)19-10-11-25(22(19)27)20-9-5-4-8-18(20)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,26)/t19-/m0/s1.
What are the key properties of (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93330810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).