2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide

C11H15N3O2 — CID 106151324

IUPAC2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-7-2-4-8(5-3-7)10(13)11(16)14-6-9(12)15/h2-5,10H,6,13H2,1H3,(H2,12,15)(H,14,16)
InChIKeyWERBFPSYSRSNBW-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.40
Rot. Bonds4

About 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide

2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide (PubChem CID 106151324) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
PubChem CID106151324
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-7-2-4-8(5-3-7)10(13)11(16)14-6-9(12)15/h2-5,10H,6,13H2,1H3,(H2,12,15)(H,14,16)
InChIKeyWERBFPSYSRSNBW-UHFFFAOYSA-N
XLogP-0.40
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 120666753
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-2-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 120667266
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 106312753
2-amino-N-[(1-methylcyclopropyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668819
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide (CID 106151324) is 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCC(N)=O)cc1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide?
The InChIKey is WERBFPSYSRSNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-2-4-8(5-3-7)10(13)11(16)14-6-9(12)15/h2-5,10H,6,13H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide has a molecular weight of 221.26 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).