N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide

C12H17NO3 — CID 107689061

IUPACN-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1c(O)cccc1O)C(C)C
InChIInChI=1S/C12H17NO3/c1-4-13(8(2)3)12(16)11-9(14)6-5-7-10(11)15/h5-8,14-15H,4H2,1-3H3
InChIKeyNAROUOWBPVOYKT-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.97
Rot. Bonds3

About N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide

N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide (PubChem CID 107689061) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
PubChem CID107689061
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1c(O)cccc1O)C(C)C
InChIInChI=1S/C12H17NO3/c1-4-13(8(2)3)12(16)11-9(14)6-5-7-10(11)15/h5-8,14-15H,4H2,1-3H3
InChIKeyNAROUOWBPVOYKT-UHFFFAOYSA-N
XLogP1.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
CID 107689064
N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
CID 114343923
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107690844
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide (CID 107689061) is N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide is CCN(C(=O)c1c(O)cccc1O)C(C)C.
What is the InChIKey of N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide?
The InChIKey is NAROUOWBPVOYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-13(8(2)3)12(16)11-9(14)6-5-7-10(11)15/h5-8,14-15H,4H2,1-3H3.
What are the key properties of N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide?
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 107689061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).