N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide

C18H17N3O2 — CID 966588

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
SMILESCn1c(O)c(/N=N/C(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-21-15-10-6-5-9-14(15)17(18(21)23)20-19-16(22)12-11-13-7-3-2-4-8-13/h2-10,23H,11-12H2,1H3/b20-19+
InChIKeyTZTFFSLWNBREIJ-FMQUCBEESA-N
MW307.35 g/mol
LogP4.13
Rot. Bonds4

About N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide

N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide (PubChem CID 966588) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
PubChem CID966588
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
SMILESCn1c(O)c(/N=N/C(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-21-15-10-6-5-9-14(15)17(18(21)23)20-19-16(22)12-11-13-7-3-2-4-8-13/h2-10,23H,11-12H2,1H3/b20-19+
InChIKeyTZTFFSLWNBREIJ-FMQUCBEESA-N
XLogP4.13
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide (CID 966588) is N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide is Cn1c(O)c(/N=N/C(=O)CCc2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide?
The InChIKey is TZTFFSLWNBREIJ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-15-10-6-5-9-14(15)17(18(21)23)20-19-16(22)12-11-13-7-3-2-4-8-13/h2-10,23H,11-12H2,1H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide has a molecular weight of 307.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide is sourced from PubChem (CID 966588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).