(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide

C23H27N3O3 — CID 95786679

IUPAC(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C23H27N3O3/c27-22(25-13-15-29-16-14-25)21-11-6-12-26(21)23(28)24-20-10-5-4-9-19(20)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,24,28)/t21-/m0/s1
InChIKeyCBVDDSAOPPVEGR-NRFANRHFSA-N
MW393.49 g/mol
LogP3.13
Rot. Bonds4

About (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide

(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 95786679) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
PubChem CID95786679
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C23H27N3O3/c27-22(25-13-15-29-16-14-25)21-11-6-12-26(21)23(28)24-20-10-5-4-9-19(20)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,24,28)/t21-/m0/s1
InChIKeyCBVDDSAOPPVEGR-NRFANRHFSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 119072836
(4aS,8aR)-N-(2-benzylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95284375
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 96541051
(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95769870
(2R)-2-(4-methylpiperazine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95784316
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305890
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 143048908
N-(2-ethylphenyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55501528

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide (CID 95786679) is (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide is O=C([C@@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1)N1CCOCC1.
What is the InChIKey of (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is CBVDDSAOPPVEGR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(25-13-15-29-16-14-25)21-11-6-12-26(21)23(28)24-20-10-5-4-9-19(20)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,24,28)/t21-/m0/s1.
What are the key properties of (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95786679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).