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

C20H25NO4 — CID 33239228

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(C)cc2O)cc1OCC
InChIInChI=1S/C20H25NO4/c1-4-24-18-9-7-15(13-19(18)25-5-2)10-11-21-20(23)16-8-6-14(3)12-17(16)22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyRIXJJRORPOQHNP-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.47
Rot. Bonds8

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide (PubChem CID 33239228) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
PubChem CID33239228
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(C)cc2O)cc1OCC
InChIInChI=1S/C20H25NO4/c1-4-24-18-9-7-15(13-19(18)25-5-2)10-11-21-20(23)16-8-6-14(3)12-17(16)22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyRIXJJRORPOQHNP-UHFFFAOYSA-N
XLogP3.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030458
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide (CID 33239228) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide is CCOc1ccc(CCNC(=O)c2ccc(C)cc2O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is RIXJJRORPOQHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-24-18-9-7-15(13-19(18)25-5-2)10-11-21-20(23)16-8-6-14(3)12-17(16)22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 343.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 33239228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).