2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide

C18H25N3O4 — CID 135924641

IUPAC2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C(C)(C)O)c2ccc(OC)cc21
InChIInChI=1S/C18H25N3O4/c1-5-6-7-10-21-14-11-12(25-4)8-9-13(14)15(16(21)22)19-20-17(23)18(2,3)24/h8-9,11,22,24H,5-7,10H2,1-4H3/b20-19+
InChIKeyGYFOTUPSEGEIES-FMQUCBEESA-N
MW347.42 g/mol
LogP3.93
Rot. Bonds7

About 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide

2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide (PubChem CID 135924641) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide
PubChem CID135924641
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C(C)(C)O)c2ccc(OC)cc21
InChIInChI=1S/C18H25N3O4/c1-5-6-7-10-21-14-11-12(25-4)8-9-13(14)15(16(21)22)19-20-17(23)18(2,3)24/h8-9,11,22,24H,5-7,10H2,1-4H3/b20-19+
InChIKeyGYFOTUPSEGEIES-FMQUCBEESA-N
XLogP3.93
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide (CID 135924641) is 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide is CCCCCn1c(O)c(/N=N/C(=O)C(C)(C)O)c2ccc(OC)cc21.
What is the InChIKey of 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide?
The InChIKey is GYFOTUPSEGEIES-FMQUCBEESA-N. The full InChI is InChI=1S/C18H25N3O4/c1-5-6-7-10-21-14-11-12(25-4)8-9-13(14)15(16(21)22)19-20-17(23)18(2,3)24/h8-9,11,22,24H,5-7,10H2,1-4H3/b20-19+.
What are the key properties of 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide?
2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2-methylpropanamide is sourced from PubChem (CID 135924641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).