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

C18H25N3O3 — CID 1493880

IUPAC(2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide
SMILESCC[C@@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O
InChIInChI=1S/C18H25N3O3/c1-3-18(2,21-9-8-16(21)22)17(23)19-14-4-6-15(7-5-14)20-10-12-24-13-11-20/h4-7H,3,8-13H2,1-2H3,(H,19,23)/t18-/m0/s1
InChIKeyOCMCZJBHGZPQDR-SFHVURJKSA-N
MW331.42 g/mol
LogP1.86
Rot. Bonds5

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

(2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide (PubChem CID 1493880) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide
PubChem CID1493880
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide
SMILESCC[C@@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O
InChIInChI=1S/C18H25N3O3/c1-3-18(2,21-9-8-16(21)22)17(23)19-14-4-6-15(7-5-14)20-10-12-24-13-11-20/h4-7H,3,8-13H2,1-2H3,(H,19,23)/t18-/m0/s1
InChIKeyOCMCZJBHGZPQDR-SFHVURJKSA-N
XLogP1.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.86
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

2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338
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
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide?
The IUPAC name of (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide (CID 1493880) is (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide is CC[C@@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O.
What is the InChIKey of (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide?
The InChIKey is OCMCZJBHGZPQDR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-18(2,21-9-8-16(21)22)17(23)19-14-4-6-15(7-5-14)20-10-12-24-13-11-20/h4-7H,3,8-13H2,1-2H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide?
(2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide is sourced from PubChem (CID 1493880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).