5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide

C21H27NO4 — CID 19459070

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C21H27NO4/c1-15(2)24-12-4-11-22-21(23)20-10-9-19(26-20)14-25-18-8-7-16-5-3-6-17(16)13-18/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,22,23)
InChIKeyICUGMLCWMWGQOO-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.89
Rot. Bonds9

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide (PubChem CID 19459070) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
PubChem CID19459070
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C21H27NO4/c1-15(2)24-12-4-11-22-21(23)20-10-9-19(26-20)14-25-18-8-7-16-5-3-6-17(16)13-18/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,22,23)
InChIKeyICUGMLCWMWGQOO-UHFFFAOYSA-N
XLogP3.89
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279746
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458831
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19458853
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide
CID 3461178
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 19458809
N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458905
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459045
5-[(4-acetylphenoxy)methyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
CID 35526440
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylpropyl)furan-2-carboxamide
CID 19458901
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 39853783
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 34852480

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide (CID 19459070) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide is CC(C)OCCCNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
The InChIKey is ICUGMLCWMWGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-15(2)24-12-4-11-22-21(23)20-10-9-19(26-20)14-25-18-8-7-16-5-3-6-17(16)13-18/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide is sourced from PubChem (CID 19459070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).