N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide

C24H23NO4 — CID 86886993

IUPACN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCc3c(O)cccc32)ccc1OCc1ccccc1
InChIInChI=1S/C24H23NO4/c1-28-23-14-17(10-13-22(23)29-15-16-6-3-2-4-7-16)24(27)25-20-12-11-19-18(20)8-5-9-21(19)26/h2-10,13-14,20,26H,11-12,15H2,1H3,(H,25,27)
InChIKeyKROKCOYBOQIQSK-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.40
Rot. Bonds6

About N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide

N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 86886993) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
PubChem CID86886993
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCc3c(O)cccc32)ccc1OCc1ccccc1
InChIInChI=1S/C24H23NO4/c1-28-23-14-17(10-13-22(23)29-15-16-6-3-2-4-7-16)24(27)25-20-12-11-19-18(20)8-5-9-21(19)26/h2-10,13-14,20,26H,11-12,15H2,1H3,(H,25,27)
InChIKeyKROKCOYBOQIQSK-UHFFFAOYSA-N
XLogP4.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 95146524
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86833145
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-butoxy-3-methoxybenzamide
CID 46424764
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide (CID 86886993) is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NC2CCc3c(O)cccc32)ccc1OCc1ccccc1.
What is the InChIKey of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is KROKCOYBOQIQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-23-14-17(10-13-22(23)29-15-16-6-3-2-4-7-16)24(27)25-20-12-11-19-18(20)8-5-9-21(19)26/h2-10,13-14,20,26H,11-12,15H2,1H3,(H,25,27).
What are the key properties of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide?
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 389.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 86886993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).