(2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide

C20H23N3O5 — CID 102302981

IUPAC(2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide
SMILESCOc1ccc(C[C@H](CC(=O)NO)C(=O)NN2c3ccccc3C[C@H]2O)cc1
InChIInChI=1S/C20H23N3O5/c1-28-16-8-6-13(7-9-16)10-15(11-18(24)22-27)20(26)21-23-17-5-3-2-4-14(17)12-19(23)25/h2-9,15,19,25,27H,10-12H2,1H3,(H,21,26)(H,22,24)/t15-,19-/m1/s1
InChIKeyWFHKGBZNJXZSDQ-DNVCBOLYSA-N
MW385.42 g/mol
LogP1.16
Rot. Bonds7

About (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide

(2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide (PubChem CID 102302981) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide
PubChem CID102302981
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide
SMILESCOc1ccc(C[C@H](CC(=O)NO)C(=O)NN2c3ccccc3C[C@H]2O)cc1
InChIInChI=1S/C20H23N3O5/c1-28-16-8-6-13(7-9-16)10-15(11-18(24)22-27)20(26)21-23-17-5-3-2-4-14(17)12-19(23)25/h2-9,15,19,25,27H,10-12H2,1H3,(H,21,26)(H,22,24)/t15-,19-/m1/s1
InChIKeyWFHKGBZNJXZSDQ-DNVCBOLYSA-N
XLogP1.16
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-benzyl-N-hydroxy-3-(4-methoxyphenyl)sulfinylpropanamide
CID 21224383
(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
CID 142645741
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
CID 134952104
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
N-[(2S)-1-acetamido-3-(4-methoxyphenyl)propan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 88558270
4-(4-methoxyanilino)-3-[(4-methoxyphenyl)methyl]-4-oxobutanoate
CID 4248992
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
CID 97063534
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide (CID 102302981) is (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide is COc1ccc(C[C@H](CC(=O)NO)C(=O)NN2c3ccccc3C[C@H]2O)cc1.
What is the InChIKey of (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide?
The InChIKey is WFHKGBZNJXZSDQ-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-28-16-8-6-13(7-9-16)10-15(11-18(24)22-27)20(26)21-23-17-5-3-2-4-14(17)12-19(23)25/h2-9,15,19,25,27H,10-12H2,1H3,(H,21,26)(H,22,24)/t15-,19-/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide?
(2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide has a molecular weight of 385.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide is sourced from PubChem (CID 102302981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).