(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide

C17H25N3O3 — CID 41236080

IUPAC(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C17H25N3O3/c1-12(2)16(18-13(3)21)17(22)19-14-4-6-15(7-5-14)20-8-10-23-11-9-20/h4-7,12,16H,8-11H2,1-3H3,(H,18,21)(H,19,22)/t16-/m1/s1
InChIKeyNOSPOYBSNMWYKW-MRXNPFEDSA-N
MW319.40 g/mol
LogP1.62
Rot. Bonds5

About (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide

(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide (PubChem CID 41236080) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
PubChem CID41236080
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C17H25N3O3/c1-12(2)16(18-13(3)21)17(22)19-14-4-6-15(7-5-14)20-8-10-23-11-9-20/h4-7,12,16H,8-11H2,1-3H3,(H,18,21)(H,19,22)/t16-/m1/s1
InChIKeyNOSPOYBSNMWYKW-MRXNPFEDSA-N
XLogP1.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
CID 46807379
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55504037
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The IUPAC name of (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide (CID 41236080) is (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide is CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The InChIKey is NOSPOYBSNMWYKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)16(18-13(3)21)17(22)19-14-4-6-15(7-5-14)20-8-10-23-11-9-20/h4-7,12,16H,8-11H2,1-3H3,(H,18,21)(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide has a molecular weight of 319.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 41236080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).