N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide

C17H19NO3 — CID 143307644

IUPACN-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
SMILESCCc1cc(C(=O)N(C)Cc2ccccc2)c(O)cc1O
InChIInChI=1S/C17H19NO3/c1-3-13-9-14(16(20)10-15(13)19)17(21)18(2)11-12-7-5-4-6-8-12/h4-10,19-20H,3,11H2,1-2H3
InChIKeyRDBBGNQDJVGXPG-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.93
Rot. Bonds4

About N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide

N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide (PubChem CID 143307644) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
PubChem CID143307644
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
SMILESCCc1cc(C(=O)N(C)Cc2ccccc2)c(O)cc1O
InChIInChI=1S/C17H19NO3/c1-3-13-9-14(16(20)10-15(13)19)17(21)18(2)11-12-7-5-4-6-8-12/h4-10,19-20H,3,11H2,1-2H3
InChIKeyRDBBGNQDJVGXPG-UHFFFAOYSA-N
XLogP2.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135581796
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
CID 110851104

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide (CID 143307644) is N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide is CCc1cc(C(=O)N(C)Cc2ccccc2)c(O)cc1O.
What is the InChIKey of N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is RDBBGNQDJVGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-13-9-14(16(20)10-15(13)19)17(21)18(2)11-12-7-5-4-6-8-12/h4-10,19-20H,3,11H2,1-2H3.
What are the key properties of N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide?
N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 143307644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).