(E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide

C21H23N3O3 — CID 11783488

IUPAC(E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C21H23N3O3/c25-14-18(11-17-13-23-20-4-2-1-3-19(17)20)22-12-16-7-5-15(6-8-16)9-10-21(26)24-27/h1-10,13,18,22-23,25,27H,11-12,14H2,(H,24,26)/b10-9+/t18-/m0/s1
InChIKeyOGAKAZXENWFQRT-BBVFFXRHSA-N
MW365.43 g/mol
LogP2.38
Rot. Bonds8

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

(E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide (PubChem CID 11783488) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide
PubChem CID11783488
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C21H23N3O3/c25-14-18(11-17-13-23-20-4-2-1-3-19(17)20)22-12-16-7-5-15(6-8-16)9-10-21(26)24-27/h1-10,13,18,22-23,25,27H,11-12,14H2,(H,24,26)/b10-9+/t18-/m0/s1
InChIKeyOGAKAZXENWFQRT-BBVFFXRHSA-N
XLogP2.38
TPSA97.38 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.38
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide (CID 11783488) is (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide?
The InChIKey is OGAKAZXENWFQRT-BBVFFXRHSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-14-18(11-17-13-23-20-4-2-1-3-19(17)20)22-12-16-7-5-15(6-8-16)9-10-21(26)24-27/h1-10,13,18,22-23,25,27H,11-12,14H2,(H,24,26)/b10-9+/t18-/m0/s1.
What are the key properties of (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11783488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).