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

C25H27NO5 — CID 2225987

IUPACN-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO5/c1-28-22-16-20(17-23(29-2)24(22)30-3)25(27)26-13-14-31-21-12-8-7-11-19(21)15-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,26,27)
InChIKeyAXIMZZLHBIVCNY-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.11
Rot. Bonds10

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

N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 2225987) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID2225987
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC NameN-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO5/c1-28-22-16-20(17-23(29-2)24(22)30-3)25(27)26-13-14-31-21-12-8-7-11-19(21)15-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,26,27)
InChIKeyAXIMZZLHBIVCNY-UHFFFAOYSA-N
XLogP4.11
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.11
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-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide (CID 2225987) is N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCOc2ccccc2Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is AXIMZZLHBIVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-28-22-16-20(17-23(29-2)24(22)30-3)25(27)26-13-14-31-21-12-8-7-11-19(21)15-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,26,27).
What are the key properties of N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 421.49 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2225987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).