2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide

C13H20N4O2 — CID 83108048

IUPAC2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCCNC(=O)N(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-9-4-5-11(14)10(8-9)12(18)15-6-7-16-13(19)17(2)3/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGJCKHQFZWRSTKQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide

2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide (PubChem CID 83108048) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
PubChem CID83108048
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCCNC(=O)N(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-9-4-5-11(14)10(8-9)12(18)15-6-7-16-13(19)17(2)3/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGJCKHQFZWRSTKQ-UHFFFAOYSA-N
XLogP0.58
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-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

4-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbenzamide
CID 83109029
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 83107775
2-amino-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332725
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide (CID 83108048) is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCCNC(=O)N(C)C)c1.
What is the InChIKey of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide?
The InChIKey is GJCKHQFZWRSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-4-5-11(14)10(8-9)12(18)15-6-7-16-13(19)17(2)3/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide?
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 0.58, 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-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide is sourced from PubChem (CID 83108048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).