N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide

C18H21NO4 — CID 134059754

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(C)cc2O)cc1OC
InChIInChI=1S/C18H21NO4/c1-11-5-7-14(15(20)9-11)18(21)19-12(2)13-6-8-16(22-3)17(10-13)23-4/h5-10,12,20H,1-4H3,(H,19,21)
InChIKeyCSHKGIGHVXQQGM-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.21
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide (PubChem CID 134059754) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
PubChem CID134059754
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(C)cc2O)cc1OC
InChIInChI=1S/C18H21NO4/c1-11-5-7-14(15(20)9-11)18(21)19-12(2)13-6-8-16(22-3)17(10-13)23-4/h5-10,12,20H,1-4H3,(H,19,21)
InChIKeyCSHKGIGHVXQQGM-UHFFFAOYSA-N
XLogP3.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108510196
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 51323702
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866009

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide (CID 134059754) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide is COc1ccc(C(C)NC(=O)c2ccc(C)cc2O)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is CSHKGIGHVXQQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-5-7-14(15(20)9-11)18(21)19-12(2)13-6-8-16(22-3)17(10-13)23-4/h5-10,12,20H,1-4H3,(H,19,21).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 134059754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).