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

C22H27NO3 — CID 19458831

IUPACN-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H27NO3/c24-22(23-18-8-3-1-2-4-9-18)21-13-12-20(26-21)15-25-19-11-10-16-6-5-7-17(16)14-19/h10-14,18H,1-9,15H2,(H,23,24)
InChIKeyVRSIKRGYOFKDEA-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.80
Rot. Bonds5

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

N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (PubChem CID 19458831) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
PubChem CID19458831
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H27NO3/c24-22(23-18-8-3-1-2-4-9-18)21-13-12-20(26-21)15-25-19-11-10-16-6-5-7-17(16)14-19/h10-14,18H,1-9,15H2,(H,23,24)
InChIKeyVRSIKRGYOFKDEA-UHFFFAOYSA-N
XLogP4.80
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide
CID 3461178
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 19458809
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19459070
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19458853

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (CID 19458831) is N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is O=C(NC1CCCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The InChIKey is VRSIKRGYOFKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c24-22(23-18-8-3-1-2-4-9-18)21-13-12-20(26-21)15-25-19-11-10-16-6-5-7-17(16)14-19/h10-14,18H,1-9,15H2,(H,23,24).
What are the key properties of N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19458831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).