3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide

C15H23N3O2 — CID 81490513

IUPAC3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide
SMILESCC(N)C1CN(CCC(=O)Nc2ccccc2)CCO1
InChIInChI=1S/C15H23N3O2/c1-12(16)14-11-18(9-10-20-14)8-7-15(19)17-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)
InChIKeyPGGNVKVRVYLSGO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.06
Rot. Bonds5

About 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide

3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide (PubChem CID 81490513) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide
PubChem CID81490513
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide
SMILESCC(N)C1CN(CCC(=O)Nc2ccccc2)CCO1
InChIInChI=1S/C15H23N3O2/c1-12(16)14-11-18(9-10-20-14)8-7-15(19)17-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)
InChIKeyPGGNVKVRVYLSGO-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide (CID 81490513) is 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide is CC(N)C1CN(CCC(=O)Nc2ccccc2)CCO1.
What is the InChIKey of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide?
The InChIKey is PGGNVKVRVYLSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(16)14-11-18(9-10-20-14)8-7-15(19)17-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19).
What are the key properties of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide?
3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 81490513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).