5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide

C23H23NO4 — CID 3461178

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide
SMILESCc1ccc(CONC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1
InChIInChI=1S/C23H23NO4/c1-16-5-7-17(8-6-16)14-27-24-23(25)22-12-11-21(28-22)15-26-20-10-9-18-3-2-4-19(18)13-20/h5-13H,2-4,14-15H2,1H3,(H,24,25)
InChIKeyASCNKFWUVHBNFH-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.52
Rot. Bonds7

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide (PubChem CID 3461178) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide
PubChem CID3461178
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide
SMILESCc1ccc(CONC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1
InChIInChI=1S/C23H23NO4/c1-16-5-7-17(8-6-16)14-27-24-23(25)22-12-11-21(28-22)15-26-20-10-9-18-3-2-4-19(18)13-20/h5-13H,2-4,14-15H2,1H3,(H,24,25)
InChIKeyASCNKFWUVHBNFH-UHFFFAOYSA-N
XLogP4.52
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458831
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 19458809
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-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 34852480
ethyl 2-[2-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19458910
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19459070
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-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279746
ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19459041
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylfuran-2-carbohydrazide
CID 63574877
N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458905

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide (CID 3461178) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide is Cc1ccc(CONC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide?
The InChIKey is ASCNKFWUVHBNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-16-5-7-17(8-6-16)14-27-24-23(25)22-12-11-21(28-22)15-26-20-10-9-18-3-2-4-19(18)13-20/h5-13H,2-4,14-15H2,1H3,(H,24,25).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.52, 7 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-[(4-methylphenyl)methoxy]furan-2-carboxamide is sourced from PubChem (CID 3461178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).