2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

C12H16N2O4 — CID 113220519

IUPAC2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H16N2O4/c1-2-5-13-11(17)7-14-12(18)9-4-3-8(15)6-10(9)16/h3-4,6,15-16H,2,5,7H2,1H3,(H,13,17)(H,14,18)
InChIKeyOBHMEFRVIVLRPZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.35
Rot. Bonds5

About 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 113220519) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID113220519
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H16N2O4/c1-2-5-13-11(17)7-14-12(18)9-4-3-8(15)6-10(9)16/h3-4,6,15-16H,2,5,7H2,1H3,(H,13,17)(H,14,18)
InChIKeyOBHMEFRVIVLRPZ-UHFFFAOYSA-N
XLogP0.35
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 103604687
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293
2-fluoro-4-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 103941343
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545
2,4-dihydroxy-N-(3-iodopropyl)benzamide
CID 107726207
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 113220519) is 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is OBHMEFRVIVLRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-5-13-11(17)7-14-12(18)9-4-3-8(15)6-10(9)16/h3-4,6,15-16H,2,5,7H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 252.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 113220519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).