2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide

C13H19NO4 — CID 114344735

IUPAC2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
SMILESCC(C)COCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H19NO4/c1-9(2)8-18-7-6-14-13(17)10-4-3-5-11(15)12(10)16/h3-5,9,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyXRDKOICLZVOLDH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.50
Rot. Bonds6

About 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide

2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide (PubChem CID 114344735) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
PubChem CID114344735
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
SMILESCC(C)COCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H19NO4/c1-9(2)8-18-7-6-14-13(17)10-4-3-5-11(15)12(10)16/h3-5,9,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyXRDKOICLZVOLDH-UHFFFAOYSA-N
XLogP1.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide
CID 60533042
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
2-[(4-chlorophenyl)methoxy]-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533123
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 113229806
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
1-amino-N-[2-(2-methylpropoxy)ethyl]isoquinoline-4-carboxamide
CID 106773007

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide (CID 114344735) is 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide is CC(C)COCCNC(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide?
The InChIKey is XRDKOICLZVOLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(2)8-18-7-6-14-13(17)10-4-3-5-11(15)12(10)16/h3-5,9,15-16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide?
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide has a molecular weight of 253.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide is sourced from PubChem (CID 114344735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).