N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide

C17H19NO3 — CID 95983066

IUPACN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@]2(O)CCc3ccccc32)c(C)o1
InChIInChI=1S/C17H19NO3/c1-11-9-14(12(2)21-11)16(19)18-10-17(20)8-7-13-5-3-4-6-15(13)17/h3-6,9,20H,7-8,10H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyKTJSYKXYAAHTML-KRWDZBQOSA-N
MW285.34 g/mol
LogP2.46
Rot. Bonds3

About N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 95983066) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID95983066
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@]2(O)CCc3ccccc32)c(C)o1
InChIInChI=1S/C17H19NO3/c1-11-9-14(12(2)21-11)16(19)18-10-17(20)8-7-13-5-3-4-6-15(13)17/h3-6,9,20H,7-8,10H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyKTJSYKXYAAHTML-KRWDZBQOSA-N
XLogP2.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 86267189
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109481310
2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97240651
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 113295147
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 95983066) is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC[C@@]2(O)CCc3ccccc32)c(C)o1.
What is the InChIKey of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KTJSYKXYAAHTML-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-9-14(12(2)21-11)16(19)18-10-17(20)8-7-13-5-3-4-6-15(13)17/h3-6,9,20H,7-8,10H2,1-2H3,(H,18,19)/t17-/m0/s1.
What are the key properties of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 95983066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).