2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide

C19H26N2O3 — CID 78820887

IUPAC2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H26N2O3/c1-2-3-6-11-20-19(23)15-21(14-17-9-7-12-24-17)13-16-8-4-5-10-18(16)22/h4-5,7-10,12,22H,2-3,6,11,13-15H2,1H3,(H,20,23)
InChIKeyIGKIQPUFIMOQFU-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.29
Rot. Bonds10

About 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide

2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide (PubChem CID 78820887) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide
PubChem CID78820887
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H26N2O3/c1-2-3-6-11-20-19(23)15-21(14-17-9-7-12-24-17)13-16-8-4-5-10-18(16)22/h4-5,7-10,12,22H,2-3,6,11,13-15H2,1H3,(H,20,23)
InChIKeyIGKIQPUFIMOQFU-UHFFFAOYSA-N
XLogP3.29
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8842242
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 78821266
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 78821105
3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327164
2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18271937
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
CID 61486088

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide?
The IUPAC name of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide (CID 78820887) is 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide is CCCCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide?
The InChIKey is IGKIQPUFIMOQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-3-6-11-20-19(23)15-21(14-17-9-7-12-24-17)13-16-8-4-5-10-18(16)22/h4-5,7-10,12,22H,2-3,6,11,13-15H2,1H3,(H,20,23).
What are the key properties of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide?
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide has a molecular weight of 330.43 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide is sourced from PubChem (CID 78820887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).