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

C23H23N3O3 — CID 123770791

IUPACN-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CN2CCC[C@H]2C(=O)c2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C23H23N3O3/c27-22(25-29)12-11-16-7-9-17(10-8-16)15-26-13-3-6-21(26)23(28)19-14-24-20-5-2-1-4-18(19)20/h1-2,4-5,7-12,14,21,24,29H,3,6,13,15H2,(H,25,27)/t21-/m0/s1
InChIKeyIMIJOZNDFOARJP-NRFANRHFSA-N
MW389.46 g/mol
LogP3.53
Rot. Bonds6

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

N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (PubChem CID 123770791) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
PubChem CID123770791
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CN2CCC[C@H]2C(=O)c2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C23H23N3O3/c27-22(25-29)12-11-16-7-9-17(10-8-16)15-26-13-3-6-21(26)23(28)19-14-24-20-5-2-1-4-18(19)20/h1-2,4-5,7-12,14,21,24,29H,3,6,13,15H2,(H,25,27)/t21-/m0/s1
InChIKeyIMIJOZNDFOARJP-NRFANRHFSA-N
XLogP3.53
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 123731300
3-[3-fluoro-4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 123585685
(E)-N-hydroxy-3-[4-[[5-(1H-indol-3-ylmethyl)-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 20579458
methyl (E)-3-[4-[[3-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enoate
CID 46198003
(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 46197686
benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl(1H-indol-3-ylmethyl)amino]methyl]phenyl]prop-2-enamide
CID 20579430
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
(E)-N-hydroxy-3-[4-[[(2R)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 51001385
N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 76728695
(E)-3-[4-[[(2S,4S)-4-amino-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 58183013
(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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (CID 123770791) is N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(CN2CCC[C@H]2C(=O)c2c[nH]c3ccccc23)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The InChIKey is IMIJOZNDFOARJP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(25-29)12-11-16-7-9-17(10-8-16)15-26-13-3-6-21(26)23(28)19-14-24-20-5-2-1-4-18(19)20/h1-2,4-5,7-12,14,21,24,29H,3,6,13,15H2,(H,25,27)/t21-/m0/s1.
What are the key properties of N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide has a molecular weight of 389.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 123770791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).