N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide

C16H18N2O2 — CID 110461172

IUPACN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide
SMILESCC(C)N1Cc2ccc(NC(=O)c3ccco3)cc2C1
InChIInChI=1S/C16H18N2O2/c1-11(2)18-9-12-5-6-14(8-13(12)10-18)17-16(19)15-4-3-7-20-15/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyAYOVGFPJNVULKU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.26
Rot. Bonds3

About N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide

N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide (PubChem CID 110461172) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide
PubChem CID110461172
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide
SMILESCC(C)N1Cc2ccc(NC(=O)c3ccco3)cc2C1
InChIInChI=1S/C16H18N2O2/c1-11(2)18-9-12-5-6-14(8-13(12)10-18)17-16(19)15-4-3-7-20-15/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyAYOVGFPJNVULKU-UHFFFAOYSA-N
XLogP3.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid
CID 138520836
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459877
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930034
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
CID 110461340
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930619
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
CID 16943267

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide (CID 110461172) is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide is CC(C)N1Cc2ccc(NC(=O)c3ccco3)cc2C1.
What is the InChIKey of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide?
The InChIKey is AYOVGFPJNVULKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)18-9-12-5-6-14(8-13(12)10-18)17-16(19)15-4-3-7-20-15/h3-8,11H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide?
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 110461172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).