2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C16H24ClN3O2 — CID 51252333

IUPAC2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CNc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C16H24ClN3O2/c1-16(2,20-7-9-22-10-8-20)12-19-15(21)11-18-14-6-4-3-5-13(14)17/h3-6,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyDOHSCCKBSZUMJD-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.98
Rot. Bonds6

About 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 51252333) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID51252333
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CNc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C16H24ClN3O2/c1-16(2,20-7-9-22-10-8-20)12-19-15(21)11-18-14-6-4-3-5-13(14)17/h3-6,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyDOHSCCKBSZUMJD-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 51252333) is 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CNc1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is DOHSCCKBSZUMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-16(2,20-7-9-22-10-8-20)12-19-15(21)11-18-14-6-4-3-5-13(14)17/h3-6,18H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 325.84 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 51252333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).