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

C19H27N3O3 — CID 135924643

IUPACN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)CC(C)C)c2ccc(OC)cc21
InChIInChI=1S/C19H27N3O3/c1-5-6-7-10-22-16-12-14(25-4)8-9-15(16)18(19(22)24)21-20-17(23)11-13(2)3/h8-9,12-13,24H,5-7,10-11H2,1-4H3/b21-20+
InChIKeyDORPJRKDPZGOMX-QZQOTICOSA-N
MW345.44 g/mol
LogP5.20
Rot. Bonds8

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

N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide (PubChem CID 135924643) 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-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide
PubChem CID135924643
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)CC(C)C)c2ccc(OC)cc21
InChIInChI=1S/C19H27N3O3/c1-5-6-7-10-22-16-12-14(25-4)8-9-15(16)18(19(22)24)21-20-17(23)11-13(2)3/h8-9,12-13,24H,5-7,10-11H2,1-4H3/b21-20+
InChIKeyDORPJRKDPZGOMX-QZQOTICOSA-N
XLogP5.20
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Related Compounds

tert-Butyl(2Z)-2-(1-hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarboxylate
CID 135881483
N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-methoxybenzohydrazide
CID 135881484
N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]cyclohexanecarbohydrazide
CID 135881494
N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924633
N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924634
N'-[(3Z)-1-Butyl-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924635
N'-[(3Z)-1-(Cyclohexylmethyl)-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924636
N'-[(3Z)-1-Benzyl-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924637
N'-[(3Z)-1-(2-Cyclohexylethyl)-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924638
N'-[(3Z)-6-methoxy-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924639
N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]cyclohexanecarbohydrazide
CID 135924640
2-Hydroxy-N'-[(3Z)-6-methoxy-1-pentyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-methylpropanohydrazide
CID 135924641

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide?
The IUPAC name of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide (CID 135924643) is N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide.
What is the SMILES notation for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide?
The canonical SMILES for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide is CCCCCn1c(O)c(/N=N/C(=O)CC(C)C)c2ccc(OC)cc21.
What is the InChIKey of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide?
The InChIKey is DORPJRKDPZGOMX-QZQOTICOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-6-7-10-22-16-12-14(25-4)8-9-15(16)18(19(22)24)21-20-17(23)11-13(2)3/h8-9,12-13,24H,5-7,10-11H2,1-4H3/b21-20+.
What are the key properties of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide?
N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)imino-3-methylbutanamide has a molecular weight of 345.44 g/mol, XLogP of 5.20, 8 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-3-methylbutanamide is sourced from PubChem (CID 135924643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).