N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide

C26H28N2O3 — CID 144901040

IUPACN-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=CNc1cccc2c1CCC2
InChIInChI=1S/C16H17NO2.C10H11NO/c1-12(11-13-7-9-15(18)10-8-13)17-16(19)14-5-3-2-4-6-14;12-7-11-10-6-2-4-8-3-1-5-9(8)10/h2-10,12,18H,11H2,1H3,(H,17,19);2,4,6-7H,1,3,5H2,(H,11,12)
InChIKeyLLBKXMHXYJEPJH-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.50
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide

N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide (PubChem CID 144901040) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide
PubChem CID144901040
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=CNc1cccc2c1CCC2
InChIInChI=1S/C16H17NO2.C10H11NO/c1-12(11-13-7-9-15(18)10-8-13)17-16(19)14-5-3-2-4-6-14;12-7-11-10-6-2-4-8-3-1-5-9(8)10/h2-10,12,18H,11H2,1H3,(H,17,19);2,4,6-7H,1,3,5H2,(H,11,12)
InChIKeyLLBKXMHXYJEPJH-UHFFFAOYSA-N
XLogP4.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide (CID 144901040) is N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide is CC(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=CNc1cccc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide?
The InChIKey is LLBKXMHXYJEPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C10H11NO/c1-12(11-13-7-9-15(18)10-8-13)17-16(19)14-5-3-2-4-6-14;12-7-11-10-6-2-4-8-3-1-5-9(8)10/h2-10,12,18H,11H2,1H3,(H,17,19);2,4,6-7H,1,3,5H2,(H,11,12).
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide?
N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 144901040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).