N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide

C20H25NO5 — CID 55882512

IUPACN-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H25NO5/c1-23-17-11-9-15(19(24-2)20(17)25-3)10-12-18(22)21-13-14-26-16-7-5-4-6-8-16/h4-9,11H,10,12-14H2,1-3H3,(H,21,22)
InChIKeyYPHRMRSKYBKENX-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.84
Rot. Bonds10

About N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide

N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55882512) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55882512
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H25NO5/c1-23-17-11-9-15(19(24-2)20(17)25-3)10-12-18(22)21-13-14-26-16-7-5-4-6-8-16/h4-9,11H,10,12-14H2,1-3H3,(H,21,22)
InChIKeyYPHRMRSKYBKENX-UHFFFAOYSA-N
XLogP2.84
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.84
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-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
1-ethyl-3-(2-phenoxyethyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111004677
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 28713819
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55880789
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55882512) is N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCOc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is YPHRMRSKYBKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-23-17-11-9-15(19(24-2)20(17)25-3)10-12-18(22)21-13-14-26-16-7-5-4-6-8-16/h4-9,11H,10,12-14H2,1-3H3,(H,21,22).
What are the key properties of N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 359.42 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).