2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide

C17H23N3O3 — CID 1495338

IUPAC2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O
InChIInChI=1S/C17H23N3O3/c1-17(2,20-8-7-15(20)21)16(22)18-13-3-5-14(6-4-13)19-9-11-23-12-10-19/h3-6H,7-12H2,1-2H3,(H,18,22)
InChIKeyRMTNLJGHWMDJAY-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.47
Rot. Bonds4

About 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide

2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide (PubChem CID 1495338) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
PubChem CID1495338
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O
InChIInChI=1S/C17H23N3O3/c1-17(2,20-8-7-15(20)21)16(22)18-13-3-5-14(6-4-13)19-9-11-23-12-10-19/h3-6H,7-12H2,1-2H3,(H,18,22)
InChIKeyRMTNLJGHWMDJAY-UHFFFAOYSA-N
XLogP1.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide
CID 1493880
2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 60779241
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide (CID 1495338) is 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide is CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O.
What is the InChIKey of 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide?
The InChIKey is RMTNLJGHWMDJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,20-8-7-15(20)21)16(22)18-13-3-5-14(6-4-13)19-9-11-23-12-10-19/h3-6H,7-12H2,1-2H3,(H,18,22).
What are the key properties of 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide?
2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide is sourced from PubChem (CID 1495338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).