N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide

C16H17NO3 — CID 107735686

IUPACN-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
SMILESCCN(C(=O)c1ccc(O)cc1C)c1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-3-17(12-5-4-6-13(18)10-12)16(20)15-8-7-14(19)9-11(15)2/h4-10,18-19H,3H2,1-2H3
InChIKeyXKYJPSPNGRTTJL-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.07
Rot. Bonds3

About N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide

N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide (PubChem CID 107735686) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
PubChem CID107735686
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
SMILESCCN(C(=O)c1ccc(O)cc1C)c1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-3-17(12-5-4-6-13(18)10-12)16(20)15-8-7-14(19)9-11(15)2/h4-10,18-19H,3H2,1-2H3
InChIKeyXKYJPSPNGRTTJL-UHFFFAOYSA-N
XLogP3.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 107736404
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
2,5-dichloro-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107736182
2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 107736178
N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 107736172
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-5-methylpyridine-3-carboxamide
CID 107736486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide?
The IUPAC name of N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide (CID 107735686) is N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide is CCN(C(=O)c1ccc(O)cc1C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide?
The InChIKey is XKYJPSPNGRTTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-17(12-5-4-6-13(18)10-12)16(20)15-8-7-14(19)9-11(15)2/h4-10,18-19H,3H2,1-2H3.
What are the key properties of N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide?
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 107735686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).