3-(4-aminophenyl)-N-morpholin-4-ylpropanamide

C13H19N3O2 — CID 83013202

IUPAC3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
SMILESNc1ccc(CCC(=O)NN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-12-4-1-11(2-5-12)3-6-13(17)15-16-7-9-18-10-8-16/h1-2,4-5H,3,6-10,14H2,(H,15,17)
InChIKeyIHRHOIIZUNMJRC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.56
Rot. Bonds4

About 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide

3-(4-aminophenyl)-N-morpholin-4-ylpropanamide (PubChem CID 83013202) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
PubChem CID83013202
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
SMILESNc1ccc(CCC(=O)NN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-12-4-1-11(2-5-12)3-6-13(17)15-16-7-9-18-10-8-16/h1-2,4-5H,3,6-10,14H2,(H,15,17)
InChIKeyIHRHOIIZUNMJRC-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-morpholin-4-ylbutanamide
CID 104502944
3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
CID 115341599
3-(2-aminophenoxy)-N-morpholin-4-ylpropanamide
CID 83013203
N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide
CID 4586516
3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide
CID 113290579
3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
CID 83012793
[methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
CID 57067194
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649192
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide?
The IUPAC name of 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide (CID 83013202) is 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide is Nc1ccc(CCC(=O)NN2CCOCC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide?
The InChIKey is IHRHOIIZUNMJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12-4-1-11(2-5-12)3-6-13(17)15-16-7-9-18-10-8-16/h1-2,4-5H,3,6-10,14H2,(H,15,17).
What are the key properties of 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide?
3-(4-aminophenyl)-N-morpholin-4-ylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-morpholin-4-ylpropanamide is sourced from PubChem (CID 83013202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).