5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide

C23H26N2O5 — CID 58924484

IUPAC5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide
SMILESCCOc1ccc(CCNCc2ccc(-c3ccc(C(=O)NO)o3)cc2)cc1OC
InChIInChI=1S/C23H26N2O5/c1-3-29-20-9-6-16(14-22(20)28-2)12-13-24-15-17-4-7-18(8-5-17)19-10-11-21(30-19)23(26)25-27/h4-11,14,24,27H,3,12-13,15H2,1-2H3,(H,25,26)
InChIKeyFWFCHPBKWJRARL-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.81
Rot. Bonds10

About 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide

5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide (PubChem CID 58924484) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide
PubChem CID58924484
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide
SMILESCCOc1ccc(CCNCc2ccc(-c3ccc(C(=O)NO)o3)cc2)cc1OC
InChIInChI=1S/C23H26N2O5/c1-3-29-20-9-6-16(14-22(20)28-2)12-13-24-15-17-4-7-18(8-5-17)19-10-11-21(30-19)23(26)25-27/h4-11,14,24,27H,3,12-13,15H2,1-2H3,(H,25,26)
InChIKeyFWFCHPBKWJRARL-UHFFFAOYSA-N
XLogP3.81
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
CID 9090497
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid
CID 3713118
2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367883
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine;oxalic acid
CID 17367733
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide?
The IUPAC name of 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide (CID 58924484) is 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide?
The canonical SMILES for 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide is CCOc1ccc(CCNCc2ccc(-c3ccc(C(=O)NO)o3)cc2)cc1OC.
What is the InChIKey of 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide?
The InChIKey is FWFCHPBKWJRARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-29-20-9-6-16(14-22(20)28-2)12-13-24-15-17-4-7-18(8-5-17)19-10-11-21(30-19)23(26)25-27/h4-11,14,24,27H,3,12-13,15H2,1-2H3,(H,25,26).
What are the key properties of 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide?
5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide is sourced from PubChem (CID 58924484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).