(2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

C32H37N3O4 — CID 87854639

IUPAC(2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)NC(C(=O)N(C)C1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H37N3O4/c1-21(2)17-27(20-29(36)34-39)31(37)33-30(24-15-13-23(14-16-24)22-9-5-4-6-10-22)32(38)35(3)28-18-25-11-7-8-12-26(25)19-28/h4-16,21,27-28,30,39H,17-20H2,1-3H3,(H,33,37)(H,34,36)/t27-,30?/m1/s1
InChIKeyAAXNFKSDOXCARY-NHQUYOMTSA-N
MW527.67 g/mol
LogP4.69
Rot. Bonds10

About (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

(2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 87854639) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
PubChem CID87854639
Molecular FormulaC32H37N3O4
Molecular Weight527.67 g/mol
Exact Mass527.28
IUPAC Name(2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)NC(C(=O)N(C)C1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H37N3O4/c1-21(2)17-27(20-29(36)34-39)31(37)33-30(24-15-13-23(14-16-24)22-9-5-4-6-10-22)32(38)35(3)28-18-25-11-7-8-12-26(25)19-28/h4-16,21,27-28,30,39H,17-20H2,1-3H3,(H,33,37)(H,34,36)/t27-,30?/m1/s1
InChIKeyAAXNFKSDOXCARY-NHQUYOMTSA-N
XLogP4.69
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (CID 87854639) is (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is CC(C)C[C@H](CC(=O)NO)C(=O)NC(C(=O)N(C)C1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is AAXNFKSDOXCARY-NHQUYOMTSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-21(2)17-27(20-29(36)34-39)31(37)33-30(24-15-13-23(14-16-24)22-9-5-4-6-10-22)32(38)35(3)28-18-25-11-7-8-12-26(25)19-28/h4-16,21,27-28,30,39H,17-20H2,1-3H3,(H,33,37)(H,34,36)/t27-,30?/m1/s1.
What are the key properties of (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
(2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 527.67 g/mol, XLogP of 4.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxo-1-(4-phenylphenyl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 87854639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).