N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide

C18H21NO4 — CID 113101933

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
SMILESCOc1cccc(OCCNC(=O)Cc2ccccc2)c1OC
InChIInChI=1S/C18H21NO4/c1-21-15-9-6-10-16(18(15)22-2)23-12-11-19-17(20)13-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyGSWRHBBMLYKFPB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.44
Rot. Bonds8

About N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide

N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide (PubChem CID 113101933) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
PubChem CID113101933
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
SMILESCOc1cccc(OCCNC(=O)Cc2ccccc2)c1OC
InChIInChI=1S/C18H21NO4/c1-21-15-9-6-10-16(18(15)22-2)23-12-11-19-17(20)13-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyGSWRHBBMLYKFPB-UHFFFAOYSA-N
XLogP2.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
CID 113101961
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
1-benzyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112975497
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2225987
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide (CID 113101933) is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide is COc1cccc(OCCNC(=O)Cc2ccccc2)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide?
The InChIKey is GSWRHBBMLYKFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-9-6-10-16(18(15)22-2)23-12-11-19-17(20)13-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide has a molecular weight of 315.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113101933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).