N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide

C13H19NO4 — CID 47931232

IUPACN-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCOCC(C)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H19NO4/c1-4-18-8-9(2)14-13(16)11-6-5-10(17-3)7-12(11)15/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyVXDGGASGVPULBE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.56
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide

N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide (PubChem CID 47931232) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
PubChem CID47931232
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCOCC(C)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H19NO4/c1-4-18-8-9(2)14-13(16)11-6-5-10(17-3)7-12(11)15/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyVXDGGASGVPULBE-UHFFFAOYSA-N
XLogP1.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 94812199
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CID 43019441
2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide
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N-(4-amino-4-hydroxyiminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 76934560
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
N-(1-bromopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 113496406
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332
N-(dicyclopropylmethyl)-2-hydroxy-4-methoxybenzamide
CID 60717998
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide (CID 47931232) is N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide is CCOCC(C)NC(=O)c1ccc(OC)cc1O.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is VXDGGASGVPULBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-18-8-9(2)14-13(16)11-6-5-10(17-3)7-12(11)15/h5-7,9,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide?
N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 47931232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).