N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide

C18H20N2O3 — CID 111478785

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cccc3cc[nH]c23)c(C)o1
InChIInChI=1S/C18H20N2O3/c1-11-9-15(12(2)23-11)18(3,22)10-20-17(21)14-6-4-5-13-7-8-19-16(13)14/h4-9,19,22H,10H2,1-3H3,(H,20,21)
InChIKeyQFYGDFXPTQGDPM-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide (PubChem CID 111478785) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
PubChem CID111478785
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cccc3cc[nH]c23)c(C)o1
InChIInChI=1S/C18H20N2O3/c1-11-9-15(12(2)23-11)18(3,22)10-20-17(21)14-6-4-5-13-7-8-19-16(13)14/h4-9,19,22H,10H2,1-3H3,(H,20,21)
InChIKeyQFYGDFXPTQGDPM-UHFFFAOYSA-N
XLogP3.02
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
CID 111479126
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylindole-4-carboxamide
CID 111479014
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111478851
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide (CID 111478785) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2cccc3cc[nH]c23)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide?
The InChIKey is QFYGDFXPTQGDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-9-15(12(2)23-11)18(3,22)10-20-17(21)14-6-4-5-13-7-8-19-16(13)14/h4-9,19,22H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 111478785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).