2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide

C12H18N2O3 — CID 107690240

IUPAC2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H18N2O3/c1-8(2)13-6-7-14-12(17)11-9(15)4-3-5-10(11)16/h3-5,8,13,15-16H,6-7H2,1-2H3,(H,14,17)
InChIKeyYMALVTALXLYSBK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.83
Rot. Bonds5

About 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide

2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 107690240) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID107690240
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H18N2O3/c1-8(2)13-6-7-14-12(17)11-9(15)4-3-5-10(11)16/h3-5,8,13,15-16H,6-7H2,1-2H3,(H,14,17)
InChIKeyYMALVTALXLYSBK-UHFFFAOYSA-N
XLogP0.83
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
CID 103890654
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
CID 103890422
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103890327
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 107690240) is 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide is CC(C)NCCNC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is YMALVTALXLYSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)13-6-7-14-12(17)11-9(15)4-3-5-10(11)16/h3-5,8,13,15-16H,6-7H2,1-2H3,(H,14,17).
What are the key properties of 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 238.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 107690240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).