2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide

C16H25N3O2 — CID 81497407

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCOC(C(C)N)C2)c1
InChIInChI=1S/C16H25N3O2/c1-11-4-5-12(2)14(8-11)18-16(20)10-19-6-7-21-15(9-19)13(3)17/h4-5,8,13,15H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyKRSJXPUCFHQRRX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.29
Rot. Bonds4

About 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 81497407) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID81497407
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCOC(C(C)N)C2)c1
InChIInChI=1S/C16H25N3O2/c1-11-4-5-12(2)14(8-11)18-16(20)10-19-6-7-21-15(9-19)13(3)17/h4-5,8,13,15H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyKRSJXPUCFHQRRX-UHFFFAOYSA-N
XLogP1.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 81497038
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2-chlorophenyl)acetamide
CID 81490299
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-bromophenyl)acetamide
CID 81490207
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
CID 81490374
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 81497379
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide (CID 81497407) is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN2CCOC(C(C)N)C2)c1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is KRSJXPUCFHQRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-4-5-12(2)14(8-11)18-16(20)10-19-6-7-21-15(9-19)13(3)17/h4-5,8,13,15H,6-7,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 81497407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).