N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide

C17H17NO5 — CID 113099800

IUPACN-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H17NO5/c1-20-13-3-2-4-14(10-13)21-8-7-18-17(19)12-5-6-15-16(9-12)23-11-22-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,19)
InChIKeyUKOMHYJMGBGHGA-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113099800) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113099800
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H17NO5/c1-20-13-3-2-4-14(10-13)21-8-7-18-17(19)12-5-6-15-16(9-12)23-11-22-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,19)
InChIKeyUKOMHYJMGBGHGA-UHFFFAOYSA-N
XLogP2.23
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.23
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-(3-propan-2-ylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113100241
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113103071
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113101460
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110321850
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 95172560
N-[2-[[N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111379399
N-[2-(3-methoxypropanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542767
N-[2-[[N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111379398
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide (CID 113099800) is N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide is COc1cccc(OCCNC(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UKOMHYJMGBGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-20-13-3-2-4-14(10-13)21-8-7-18-17(19)12-5-6-15-16(9-12)23-11-22-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113099800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).