N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide

C20H25NO5 — CID 113099864

IUPACN-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
SMILESCCc1ccccc1OCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H25NO5/c1-5-14-8-6-7-9-16(14)26-11-10-21-20(22)15-12-17(23-2)19(25-4)18(13-15)24-3/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyNVXAKJSSMPYJCD-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.08
Rot. Bonds9

About N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 113099864) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID113099864
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
SMILESCCc1ccccc1OCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H25NO5/c1-5-14-8-6-7-9-16(14)26-11-10-21-20(22)15-12-17(23-2)19(25-4)18(13-15)24-3/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyNVXAKJSSMPYJCD-UHFFFAOYSA-N
XLogP3.08
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2225987
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide (CID 113099864) is N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide is CCc1ccccc1OCCNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is NVXAKJSSMPYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-5-14-8-6-7-9-16(14)26-11-10-21-20(22)15-12-17(23-2)19(25-4)18(13-15)24-3/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 359.42 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 113099864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).