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

C19H27N3O3 — CID 135924646

IUPACN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C(C)(C)C)c2ccc(OC)cc21
InChIInChI=1S/C19H27N3O3/c1-6-7-8-11-22-15-12-13(25-5)9-10-14(15)16(17(22)23)20-21-18(24)19(2,3)4/h9-10,12,23H,6-8,11H2,1-5H3/b21-20+
InChIKeyNOMFFZUXTWSXBV-QZQOTICOSA-N
MW345.44 g/mol
LogP5.20
Rot. Bonds6

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

N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide (PubChem CID 135924646) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide
PubChem CID135924646
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C(C)(C)C)c2ccc(OC)cc21
InChIInChI=1S/C19H27N3O3/c1-6-7-8-11-22-15-12-13(25-5)9-10-14(15)16(17(22)23)20-21-18(24)19(2,3)4/h9-10,12,23H,6-8,11H2,1-5H3/b21-20+
InChIKeyNOMFFZUXTWSXBV-QZQOTICOSA-N
XLogP5.20
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide?
The IUPAC name of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide (CID 135924646) is N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide is CCCCCn1c(O)c(/N=N/C(=O)C(C)(C)C)c2ccc(OC)cc21.
What is the InChIKey of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide?
The InChIKey is NOMFFZUXTWSXBV-QZQOTICOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-6-7-8-11-22-15-12-13(25-5)9-10-14(15)16(17(22)23)20-21-18(24)19(2,3)4/h9-10,12,23H,6-8,11H2,1-5H3/b21-20+.
What are the key properties of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide?
N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide has a molecular weight of 345.44 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-2,2-dimethylpropanamide is sourced from PubChem (CID 135924646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).