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

C15H22ClN3O2 — CID 81497387

IUPAC3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
SMILESCC(N)C1CN(CCC(=O)Nc2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H22ClN3O2/c1-11(17)14-10-19(7-8-21-14)6-5-15(20)18-13-4-2-3-12(16)9-13/h2-4,9,11,14H,5-8,10,17H2,1H3,(H,18,20)
InChIKeyUSHKREFWDGRMCP-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.72
Rot. Bonds5

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

3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide (PubChem CID 81497387) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
PubChem CID81497387
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
SMILESCC(N)C1CN(CCC(=O)Nc2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H22ClN3O2/c1-11(17)14-10-19(7-8-21-14)6-5-15(20)18-13-4-2-3-12(16)9-13/h2-4,9,11,14H,5-8,10,17H2,1H3,(H,18,20)
InChIKeyUSHKREFWDGRMCP-UHFFFAOYSA-N
XLogP1.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide
CID 81490513
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
CID 81490374
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 81497379
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 81491262
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 81497038
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide
CID 114961218
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-bromophenyl)acetamide
CID 81490207
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide (CID 81497387) is 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide is CC(N)C1CN(CCC(=O)Nc2cccc(Cl)c2)CCO1.
What is the InChIKey of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide?
The InChIKey is USHKREFWDGRMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11(17)14-10-19(7-8-21-14)6-5-15(20)18-13-4-2-3-12(16)9-13/h2-4,9,11,14H,5-8,10,17H2,1H3,(H,18,20).
What are the key properties of 3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide?
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 1.72, 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-(3-chlorophenyl)propanamide is sourced from PubChem (CID 81497387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).