(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide

C28H30N2O6 — CID 57177409

IUPAC(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide
SMILESCOc1ccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@]3(O)CCc4ccccc43)cc2)c(OC)c1
InChIInChI=1S/C28H30N2O6/c1-35-22-11-12-23(25(17-22)36-2)19-9-7-18(8-10-19)15-21(16-26(31)30-34)27(32)29-28(33)14-13-20-5-3-4-6-24(20)28/h3-12,17,21,33-34H,13-16H2,1-2H3,(H,29,32)(H,30,31)/t21-,28+/m1/s1
InChIKeyJZYJJIOKKOYHGR-PIKZIKFNSA-N
MW490.56 g/mol
LogP3.33
Rot. Bonds9

About (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide

(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide (PubChem CID 57177409) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide
PubChem CID57177409
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Name(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide
SMILESCOc1ccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@]3(O)CCc4ccccc43)cc2)c(OC)c1
InChIInChI=1S/C28H30N2O6/c1-35-22-11-12-23(25(17-22)36-2)19-9-7-18(8-10-19)15-21(16-26(31)30-34)27(32)29-28(33)14-13-20-5-3-4-6-24(20)28/h3-12,17,21,33-34H,13-16H2,1-2H3,(H,29,32)(H,30,31)/t21-,28+/m1/s1
InChIKeyJZYJJIOKKOYHGR-PIKZIKFNSA-N
XLogP3.33
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
CID 142645741
(2R)-N'-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydroindol-1-yl]-2-[(4-methoxyphenyl)methyl]butanediamide
CID 102302981
1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide
CID 22946164
(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide
CID 142645744
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
N-hydroxy-N'-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]-N'-[(3-hydroxy-4-methoxyphenyl)methyl]butanediamide
CID 57170799
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide?
The IUPAC name of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide (CID 57177409) is (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide.
What is the SMILES notation for (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide?
The canonical SMILES for (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide is COc1ccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@]3(O)CCc4ccccc43)cc2)c(OC)c1.
What is the InChIKey of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide?
The InChIKey is JZYJJIOKKOYHGR-PIKZIKFNSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-35-22-11-12-23(25(17-22)36-2)19-9-7-18(8-10-19)15-21(16-26(31)30-34)27(32)29-28(33)14-13-20-5-3-4-6-24(20)28/h3-12,17,21,33-34H,13-16H2,1-2H3,(H,29,32)(H,30,31)/t21-,28+/m1/s1.
What are the key properties of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide?
(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide has a molecular weight of 490.56 g/mol, XLogP of 3.33, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide is sourced from PubChem (CID 57177409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).