N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide

C18H21NO4 — CID 126825213

IUPACN-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc(O)c(C)c2)c(C)c1OC
InChIInChI=1S/C18H21NO4/c1-11-10-13(6-8-15(11)20)19(3)18(21)14-7-9-16(22-4)17(23-5)12(14)2/h6-10,20H,1-5H3
InChIKeyHAXSPEAVNGWXOW-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.30
Rot. Bonds4

About N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide

N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide (PubChem CID 126825213) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide
PubChem CID126825213
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc(O)c(C)c2)c(C)c1OC
InChIInChI=1S/C18H21NO4/c1-11-10-13(6-8-15(11)20)19(3)18(21)14-7-9-16(22-4)17(23-5)12(14)2/h6-10,20H,1-5H3
InChIKeyHAXSPEAVNGWXOW-UHFFFAOYSA-N
XLogP3.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
4-hydroxy-N-(4-hydroxyphenyl)-3-methoxy-N-methylbenzamide
CID 176768162
2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
CID 115140469
N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide
CID 28894012
5-chloro-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 28739149
4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 78991962
N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
CID 110763410
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
N-(4-bromo-3-methylphenyl)-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 86963177

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide (CID 126825213) is N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide is COc1ccc(C(=O)N(C)c2ccc(O)c(C)c2)c(C)c1OC.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide?
The InChIKey is HAXSPEAVNGWXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-10-13(6-8-15(11)20)19(3)18(21)14-7-9-16(22-4)17(23-5)12(14)2/h6-10,20H,1-5H3.
What are the key properties of N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide?
N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide is sourced from PubChem (CID 126825213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).