2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide

C17H25N3O3 — CID 112991530

IUPAC2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
SMILESCc1ccccc1CC(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-14-4-2-3-5-15(14)12-16(21)19-13-17(22)18-6-7-20-8-10-23-11-9-20/h2-5H,6-13H2,1H3,(H,18,22)(H,19,21)
InChIKeyZYDBLQYKEBCOKI-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.10
Rot. Bonds7

About 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide

2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide (PubChem CID 112991530) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
PubChem CID112991530
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
SMILESCc1ccccc1CC(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-14-4-2-3-5-15(14)12-16(21)19-13-17(22)18-6-7-20-8-10-23-11-9-20/h2-5H,6-13H2,1H3,(H,18,22)(H,19,21)
InChIKeyZYDBLQYKEBCOKI-UHFFFAOYSA-N
XLogP0.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 20842918
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
2-(2-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025661
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110770137

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide (CID 112991530) is 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide is Cc1ccccc1CC(=O)NCC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The InChIKey is ZYDBLQYKEBCOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-14-4-2-3-5-15(14)12-16(21)19-13-17(22)18-6-7-20-8-10-23-11-9-20/h2-5H,6-13H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112991530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).