N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide

C15H19N3O2 — CID 103103874

IUPACN-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1cccc(C#CCN)c1C
InChIInChI=1S/C15H19N3O2/c1-3-18(10-14(17)19)15(20)13-8-4-6-12(11(13)2)7-5-9-16/h4,6,8H,3,9-10,16H2,1-2H3,(H2,17,19)
InChIKeyZIVAXAMCJMDHOH-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.25
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide

N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide (PubChem CID 103103874) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide
PubChem CID103103874
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1cccc(C#CCN)c1C
InChIInChI=1S/C15H19N3O2/c1-3-18(10-14(17)19)15(20)13-8-4-6-12(11(13)2)7-5-9-16/h4,6,8H,3,9-10,16H2,1-2H3,(H2,17,19)
InChIKeyZIVAXAMCJMDHOH-UHFFFAOYSA-N
XLogP0.25
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide 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-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide
CID 103103851
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
CID 76928775
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide
CID 81476301
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107099465
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)-2-methylbenzamide
CID 106346976
3-(3-aminoprop-1-ynyl)-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016925
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
3-(3-aminoprop-1-ynyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432496

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide (CID 103103874) is N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide is CCN(CC(N)=O)C(=O)c1cccc(C#CCN)c1C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide?
The InChIKey is ZIVAXAMCJMDHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18(10-14(17)19)15(20)13-8-4-6-12(11(13)2)7-5-9-16/h4,6,8H,3,9-10,16H2,1-2H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide?
N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 103103874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).