(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide

C25H28N2O2 — CID 58367591

IUPAC(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESCC1=C(CCN2CCCC2c2ccc(/C=C/C(=O)NO)cc2)c2ccccc2C1
InChIInChI=1S/C25H28N2O2/c1-18-17-21-5-2-3-6-23(21)22(18)14-16-27-15-4-7-24(27)20-11-8-19(9-12-20)10-13-25(28)26-29/h2-3,5-6,8-13,24,29H,4,7,14-17H2,1H3,(H,26,28)/b13-10+
InChIKeyCODSWVZKKLVLKP-JLHYYAGUSA-N
MW388.51 g/mol
LogP4.76
Rot. Bonds6

About (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide (PubChem CID 58367591) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
PubChem CID58367591
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESCC1=C(CCN2CCCC2c2ccc(/C=C/C(=O)NO)cc2)c2ccccc2C1
InChIInChI=1S/C25H28N2O2/c1-18-17-21-5-2-3-6-23(21)22(18)14-16-27-15-4-7-24(27)20-11-8-19(9-12-20)10-13-25(28)26-29/h2-3,5-6,8-13,24,29H,4,7,14-17H2,1H3,(H,26,28)/b13-10+
InChIKeyCODSWVZKKLVLKP-JLHYYAGUSA-N
XLogP4.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74959589
3-[4-[1-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 76728706
(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide
CID 141249488
N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 91316059
3-[4-[(2S)-1-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91470771
N-hydroxy-3-[4-[1-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960084
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
N-hydroxy-3-[4-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960087
(E)-3-[4-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87290655
3-[4-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91597326
(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87290698
3-[4-[(2S)-1-[2-(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91355569

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide (CID 58367591) is (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide is CC1=C(CCN2CCCC2c2ccc(/C=C/C(=O)NO)cc2)c2ccccc2C1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
The InChIKey is CODSWVZKKLVLKP-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-17-21-5-2-3-6-23(21)22(18)14-16-27-15-4-7-24(27)20-11-8-19(9-12-20)10-13-25(28)26-29/h2-3,5-6,8-13,24,29H,4,7,14-17H2,1H3,(H,26,28)/b13-10+.
What are the key properties of (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide has a molecular weight of 388.51 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 58367591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).