N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide

C12H17N3O2 — CID 39185204

IUPACN-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)CN
InChIInChI=1S/C12H17N3O2/c1-3-9-4-5-10(14-8(2)16)6-11(9)15-12(17)7-13/h4-6H,3,7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQZZCLUFRWRHJFK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.10
Rot. Bonds4

About N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide

N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide (PubChem CID 39185204) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
PubChem CID39185204
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)CN
InChIInChI=1S/C12H17N3O2/c1-3-9-4-5-10(14-8(2)16)6-11(9)15-12(17)7-13/h4-6H,3,7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQZZCLUFRWRHJFK-UHFFFAOYSA-N
XLogP1.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide
CID 39185284
N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide
CID 39185368
3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 82034549
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
CID 82034526
N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide
CID 163304121
3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 82034547
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide?
The IUPAC name of N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide (CID 39185204) is N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide.
What is the SMILES notation for N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide?
The canonical SMILES for N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide is CCc1ccc(NC(C)=O)cc1NC(=O)CN.
What is the InChIKey of N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide?
The InChIKey is QZZCLUFRWRHJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-9-4-5-10(14-8(2)16)6-11(9)15-12(17)7-13/h4-6H,3,7,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide?
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide has a molecular weight of 235.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide is sourced from PubChem (CID 39185204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).