N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide

C15H17NO5 — CID 113101908

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2ccco2)c1OC
InChIInChI=1S/C15H17NO5/c1-18-11-5-3-6-12(14(11)19-2)21-10-8-16-15(17)13-7-4-9-20-13/h3-7,9H,8,10H2,1-2H3,(H,16,17)
InChIKeyPNSOCIJXTBWWHZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.11
Rot. Bonds7

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

N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide (PubChem CID 113101908) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
PubChem CID113101908
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2ccco2)c1OC
InChIInChI=1S/C15H17NO5/c1-18-11-5-3-6-12(14(11)19-2)21-10-8-16-15(17)13-7-4-9-20-13/h3-7,9H,8,10H2,1-2H3,(H,16,17)
InChIKeyPNSOCIJXTBWWHZ-UHFFFAOYSA-N
XLogP2.11
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.11
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-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
CID 113101961
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
1-benzyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112975497

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide (CID 113101908) is N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide is COc1cccc(OCCNC(=O)c2ccco2)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is PNSOCIJXTBWWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-18-11-5-3-6-12(14(11)19-2)21-10-8-16-15(17)13-7-4-9-20-13/h3-7,9H,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113101908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).