4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide

C12H19N5O2 — CID 83116178

IUPAC4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NCCNC(N)=O)c1
InChIInChI=1S/C12H19N5O2/c1-2-15-11(18)8-3-4-9(13)10(7-8)16-5-6-17-12(14)19/h3-4,7,16H,2,5-6,13H2,1H3,(H,15,18)(H3,14,17,19)
InChIKeyUSUPUXRNQYEAGO-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.10
Rot. Bonds6

About 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide

4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide (PubChem CID 83116178) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
PubChem CID83116178
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NCCNC(N)=O)c1
InChIInChI=1S/C12H19N5O2/c1-2-15-11(18)8-3-4-9(13)10(7-8)16-5-6-17-12(14)19/h3-4,7,16H,2,5-6,13H2,1H3,(H,15,18)(H3,14,17,19)
InChIKeyUSUPUXRNQYEAGO-UHFFFAOYSA-N
XLogP0.10
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide 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-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
CID 63360728
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
CID 63361152
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide?
The IUPAC name of 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide (CID 83116178) is 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(NCCNC(N)=O)c1.
What is the InChIKey of 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide?
The InChIKey is USUPUXRNQYEAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-15-11(18)8-3-4-9(13)10(7-8)16-5-6-17-12(14)19/h3-4,7,16H,2,5-6,13H2,1H3,(H,15,18)(H3,14,17,19).
What are the key properties of 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide?
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 0.10, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide is sourced from PubChem (CID 83116178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).