4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide

C12H18N4O3 — CID 106166574

IUPAC4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(O)C(N)=O
InChIInChI=1S/C12H18N4O3/c1-2-15-12(19)8-4-3-7(13)5-9(8)16-6-10(17)11(14)18/h3-5,10,16-17H,2,6,13H2,1H3,(H2,14,18)(H,15,19)
InChIKeyKNXXOCREBYXNIP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds6

About 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide

4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide (PubChem CID 106166574) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
PubChem CID106166574
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(O)C(N)=O
InChIInChI=1S/C12H18N4O3/c1-2-15-12(19)8-4-3-7(13)5-9(8)16-6-10(17)11(14)18/h3-5,10,16-17H,2,6,13H2,1H3,(H2,14,18)(H,15,19)
InChIKeyKNXXOCREBYXNIP-UHFFFAOYSA-N
XLogP-0.72
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
3-(4-amino-2-chloroanilino)-2-hydroxypropanamide
CID 106166462
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
CID 106308871
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81171388
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethyl-4-nitrobenzamide
CID 106170804
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide?
The IUPAC name of 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide (CID 106166574) is 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(N)cc1NCC(O)C(N)=O.
What is the InChIKey of 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide?
The InChIKey is KNXXOCREBYXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-15-12(19)8-4-3-7(13)5-9(8)16-6-10(17)11(14)18/h3-5,10,16-17H,2,6,13H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide?
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide has a molecular weight of 266.30 g/mol, XLogP of -0.72, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 106166574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).