N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide

C24H27N3O3 — CID 123559616

IUPACN-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESCc1[nH]c2ccccc2c1C[C@H]1C[C@@H](O)CN1Cc1ccc(C=CC(=O)NO)cc1
InChIInChI=1S/C24H27N3O3/c1-16-22(21-4-2-3-5-23(21)25-16)13-19-12-20(28)15-27(19)14-18-8-6-17(7-9-18)10-11-24(29)26-30/h2-11,19-20,25,28,30H,12-15H2,1H3,(H,26,29)/t19-,20-/m1/s1
InChIKeyQATCJCZQJMMEMZ-WOJBJXKFSA-N
MW405.50 g/mol
LogP3.17
Rot. Bonds6

About N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide

N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (PubChem CID 123559616) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
PubChem CID123559616
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESCc1[nH]c2ccccc2c1C[C@H]1C[C@@H](O)CN1Cc1ccc(C=CC(=O)NO)cc1
InChIInChI=1S/C24H27N3O3/c1-16-22(21-4-2-3-5-23(21)25-16)13-19-12-20(28)15-27(19)14-18-8-6-17(7-9-18)10-11-24(29)26-30/h2-11,19-20,25,28,30H,12-15H2,1H3,(H,26,29)/t19-,20-/m1/s1
InChIKeyQATCJCZQJMMEMZ-WOJBJXKFSA-N
XLogP3.17
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (CID 123559616) is N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is Cc1[nH]c2ccccc2c1C[C@H]1C[C@@H](O)CN1Cc1ccc(C=CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The InChIKey is QATCJCZQJMMEMZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-22(21-4-2-3-5-23(21)25-16)13-19-12-20(28)15-27(19)14-18-8-6-17(7-9-18)10-11-24(29)26-30/h2-11,19-20,25,28,30H,12-15H2,1H3,(H,26,29)/t19-,20-/m1/s1.
What are the key properties of N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide has a molecular weight of 405.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[[(2S,4R)-4-hydroxy-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 123559616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).