2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide

C13H19N3O2 — CID 54861871

IUPAC2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C13H19N3O2/c1-9-3-5-11(6-4-9)10(2)16-13(18)8-15-12(17)7-14/h3-6,10H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMIQZBSIRFSNKAJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.25
Rot. Bonds5

About 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide (PubChem CID 54861871) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide
PubChem CID54861871
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C13H19N3O2/c1-9-3-5-11(6-4-9)10(2)16-13(18)8-15-12(17)7-14/h3-6,10H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMIQZBSIRFSNKAJ-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
2-(cyclopropylamino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 54861999
6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
CID 81356680
(3S)-3-(aminomethyl)-5-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]hexanamide
CID 81355844
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide (CID 54861871) is 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide is Cc1ccc(C(C)NC(=O)CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide?
The InChIKey is MIQZBSIRFSNKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-3-5-11(6-4-9)10(2)16-13(18)8-15-12(17)7-14/h3-6,10H,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).