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

C13H19N3O2 — CID 61252883

IUPAC3-amino-N-(4-morpholin-4-ylphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17)
InChIKeyKPYYRUOMEVVEMW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.81
Rot. Bonds4

About 3-amino-N-(4-morpholin-4-ylphenyl)propanamide

3-amino-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 61252883) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID61252883
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-(4-morpholin-4-ylphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17)
InChIKeyKPYYRUOMEVVEMW-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-amino-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 61253868
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
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
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-amino-N-(4-morpholin-4-ylphenyl)propanamide (CID 61252883) is 3-amino-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(4-morpholin-4-ylphenyl)propanamide is NCCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-amino-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is KPYYRUOMEVVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17).
What are the key properties of 3-amino-N-(4-morpholin-4-ylphenyl)propanamide?
3-amino-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 61252883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).