(2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide

C18H17N3O2 — CID 135804480

IUPAC(2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide
SMILESC[C@](O)(C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-18(23,14-7-3-2-4-8-14)17(22)21-20-12-13-11-19-16-10-6-5-9-15(13)16/h2-12,19,23H,1H3,(H,21,22)/b20-12+/t18-/m1/s1
InChIKeyQQURAQMPDOBDEM-BAOGCXAUSA-N
MW307.35 g/mol
LogP2.53
Rot. Bonds4

About (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide

(2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide (PubChem CID 135804480) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide
PubChem CID135804480
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide
SMILESC[C@](O)(C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-18(23,14-7-3-2-4-8-14)17(22)21-20-12-13-11-19-16-10-6-5-9-15(13)16/h2-12,19,23H,1H3,(H,21,22)/b20-12+/t18-/m1/s1
InChIKeyQQURAQMPDOBDEM-BAOGCXAUSA-N
XLogP2.53
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide?
The IUPAC name of (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide (CID 135804480) is (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide is C[C@](O)(C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide?
The InChIKey is QQURAQMPDOBDEM-BAOGCXAUSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(23,14-7-3-2-4-8-14)17(22)21-20-12-13-11-19-16-10-6-5-9-15(13)16/h2-12,19,23H,1H3,(H,21,22)/b20-12+/t18-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide?
(2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide has a molecular weight of 307.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide is sourced from PubChem (CID 135804480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).