2-amino-N-(4-morpholin-4-ylphenyl)propanamide

C13H19N3O2 — CID 60638930

IUPAC2-amino-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-10(14)13(17)15-11-2-4-12(5-3-11)16-6-8-18-9-7-16/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyMJKAIALXRDCBPC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.81
Rot. Bonds3

About 2-amino-N-(4-morpholin-4-ylphenyl)propanamide

2-amino-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 60638930) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID60638930
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-10(14)13(17)15-11-2-4-12(5-3-11)16-6-8-18-9-7-16/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyMJKAIALXRDCBPC-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
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

(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium
CID 7998281

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-amino-N-(4-morpholin-4-ylphenyl)propanamide (CID 60638930) is 2-amino-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-morpholin-4-ylphenyl)propanamide is CC(N)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-amino-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is MJKAIALXRDCBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(14)13(17)15-11-2-4-12(5-3-11)16-6-8-18-9-7-16/h2-5,10H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(4-morpholin-4-ylphenyl)propanamide?
2-amino-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 60638930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).