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

C23H25N3O2 — CID 123731300

IUPACN-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CN2CCC[C@H]2Cc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C23H25N3O2/c27-23(25-28)12-11-17-7-9-18(10-8-17)16-26-13-3-4-20(26)14-19-15-24-22-6-2-1-5-21(19)22/h1-2,5-12,15,20,24,28H,3-4,13-14,16H2,(H,25,27)/t20-/m0/s1
InChIKeyIWAJXSFDBQVCMU-FQEVSTJZSA-N
MW375.47 g/mol
LogP3.89
Rot. Bonds6

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

N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (PubChem CID 123731300) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
PubChem CID123731300
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CN2CCC[C@H]2Cc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C23H25N3O2/c27-23(25-28)12-11-17-7-9-18(10-8-17)16-26-13-3-4-20(26)14-19-15-24-22-6-2-1-5-21(19)22/h1-2,5-12,15,20,24,28H,3-4,13-14,16H2,(H,25,27)/t20-/m0/s1
InChIKeyIWAJXSFDBQVCMU-FQEVSTJZSA-N
XLogP3.89
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.89
H-Bond Donors ≤ 53
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

3-[3-fluoro-4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 123585685
N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 123770791
(E)-N-hydroxy-3-[4-[[5-(1H-indol-3-ylmethyl)-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 20579458
(E)-N-hydroxy-3-[4-[[(2R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 51001465
methyl 3-[4-[(1R)-1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enoate
CID 66584527
(E)-N-hydroxy-3-[4-[[(2R)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 51001385
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl(1H-indol-3-ylmethyl)amino]methyl]phenyl]prop-2-enamide
CID 20579430
methyl (E)-3-[4-[[3-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enoate
CID 46198003
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514
(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 46197686
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
[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
CID 113086415

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (CID 123731300) is N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(CN2CCC[C@H]2Cc2c[nH]c3ccccc23)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The InChIKey is IWAJXSFDBQVCMU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(25-28)12-11-17-7-9-18(10-8-17)16-26-13-3-4-20(26)14-19-15-24-22-6-2-1-5-21(19)22/h1-2,5-12,15,20,24,28H,3-4,13-14,16H2,(H,25,27)/t20-/m0/s1.
What are the key properties of N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 123731300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).