2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C24H28N2O4 — CID 18271937

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H28N2O4/c1-2-28-21-10-12-22(13-11-21)30-16-14-25-24(27)19-26(18-23-9-6-15-29-23)17-20-7-4-3-5-8-20/h3-13,15H,2,14,16-19H2,1H3,(H,25,27)
InChIKeyFQCMAXRPUJNSGL-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.88
Rot. Bonds12

About 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 18271937) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID18271937
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H28N2O4/c1-2-28-21-10-12-22(13-11-21)30-16-14-25-24(27)19-26(18-23-9-6-15-29-23)17-20-7-4-3-5-8-20/h3-13,15H,2,14,16-19H2,1H3,(H,25,27)
InChIKeyFQCMAXRPUJNSGL-UHFFFAOYSA-N
XLogP3.88
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.88
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

3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide
CID 18288462
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327164
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
CID 24574934
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 3928097

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 18271937) is 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)CN(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is FQCMAXRPUJNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-2-28-21-10-12-22(13-11-21)30-16-14-25-24(27)19-26(18-23-9-6-15-29-23)17-20-7-4-3-5-8-20/h3-13,15H,2,14,16-19H2,1H3,(H,25,27).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 18271937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).