N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide

C27H28N2O5 — CID 87931717

IUPACN'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide
SMILESO=C(CC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1c2ccccc2CC1O)NO
InChIInChI=1S/C27H28N2O5/c30-24-15-20-8-4-5-9-23(20)26(24)28-27(32)21(16-25(31)29-33)14-18-10-12-22(13-11-18)34-17-19-6-2-1-3-7-19/h1-13,21,24,26,30,33H,14-17H2,(H,28,32)(H,29,31)
InChIKeyNIFBZMMGYWKNIM-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.09
Rot. Bonds9

About N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide

N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide (PubChem CID 87931717) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide
PubChem CID87931717
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC NameN'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide
SMILESO=C(CC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1c2ccccc2CC1O)NO
InChIInChI=1S/C27H28N2O5/c30-24-15-20-8-4-5-9-23(20)26(24)28-27(32)21(16-25(31)29-33)14-18-10-12-22(13-11-18)34-17-19-6-2-1-3-7-19/h1-13,21,24,26,30,33H,14-17H2,(H,28,32)(H,29,31)
InChIKeyNIFBZMMGYWKNIM-UHFFFAOYSA-N
XLogP3.09
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
CID 74982220
(2R)-2-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide
CID 87931649
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
2-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
CID 87931660
(2R,4S)-5-amino-2-benzyl-4-hydroxy-N-[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 144626125
tert-butyl (3R,4S,6S)-3-benzyl-4-hydroxy-7-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-[(4-hydroxyphenyl)methyl]-7-oxoheptanoate
CID 67770599
2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CID 70059510
(2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide
CID 70058052
benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 15896226
(2S,6S)-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,6-bis(phenylmethoxy)heptanediamide
CID 10794328
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
(2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide
CID 10278160

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide?
The IUPAC name of N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide (CID 87931717) is N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide.
What is the SMILES notation for N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide?
The canonical SMILES for N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide is O=C(CC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1c2ccccc2CC1O)NO.
What is the InChIKey of N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide?
The InChIKey is NIFBZMMGYWKNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c30-24-15-20-8-4-5-9-23(20)26(24)28-27(32)21(16-25(31)29-33)14-18-10-12-22(13-11-18)34-17-19-6-2-1-3-7-19/h1-13,21,24,26,30,33H,14-17H2,(H,28,32)(H,29,31).
What are the key properties of N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide?
N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide has a molecular weight of 460.53 g/mol, XLogP of 3.09, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide is sourced from PubChem (CID 87931717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).