3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide

C13H20N2O5 — CID 107843413

IUPAC3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NC(CO)(CO)CO)c1
InChIInChI=1S/C13H20N2O5/c1-2-20-11-4-9(3-10(14)5-11)12(19)15-13(6-16,7-17)8-18/h3-5,16-18H,2,6-8,14H2,1H3,(H,15,19)
InChIKeyQWTZOLPXLAOUIS-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.89
Rot. Bonds7

About 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide (PubChem CID 107843413) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
PubChem CID107843413
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NC(CO)(CO)CO)c1
InChIInChI=1S/C13H20N2O5/c1-2-20-11-4-9(3-10(14)5-11)12(19)15-13(6-16,7-17)8-18/h3-5,16-18H,2,6-8,14H2,1H3,(H,15,19)
InChIKeyQWTZOLPXLAOUIS-UHFFFAOYSA-N
XLogP-0.89
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
methyl 3-amino-5-ethoxybenzoate
CID 45089063
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide?
The IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide (CID 107843413) is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide?
The canonical SMILES for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide is CCOc1cc(N)cc(C(=O)NC(CO)(CO)CO)c1.
What is the InChIKey of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide?
The InChIKey is QWTZOLPXLAOUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-2-20-11-4-9(3-10(14)5-11)12(19)15-13(6-16,7-17)8-18/h3-5,16-18H,2,6-8,14H2,1H3,(H,15,19).
What are the key properties of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide?
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide has a molecular weight of 284.31 g/mol, XLogP of -0.89, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide is sourced from PubChem (CID 107843413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).