N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide

C20H29N3O2 — CID 4596212

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide
SMILESCCCCCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C20H29N3O2/c1-2-3-4-5-6-7-8-9-10-15-18(24)22-23-19-16-13-11-12-14-17(16)21-20(19)25/h11-14,21,25H,2-10,15H2,1H3/b23-22+
InChIKeyAXNVQCRBGUOVKA-GHVJWSGMSA-N
MW343.47 g/mol
LogP6.40
Rot. Bonds11

About N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide

N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide (PubChem CID 4596212) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide
PubChem CID4596212
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide
SMILESCCCCCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C20H29N3O2/c1-2-3-4-5-6-7-8-9-10-15-18(24)22-23-19-16-13-11-12-14-17(16)21-20(19)25/h11-14,21,25H,2-10,15H2,1H3/b23-22+
InChIKeyAXNVQCRBGUOVKA-GHVJWSGMSA-N
XLogP6.40
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
4-[N'-(2-Oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzoic acid
CID 5033943
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
4-(2-(5,7-Dimethyl-2-oxoindolin-3-ylidene)hydrazineyl)benzoic acid
CID 5238140
Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CID 690109
(3Z)-5-Methyl-1H-indole-2,3-dione 3-oxime
CID 583072
Isatin 3-hydrazone
CID 16906
Isatin-3-oxime
CID 69084
2(4-Benzyl-1-piperazinyl)N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
CID 1034069
(E)-N'-(5-nitro-2-oxoindolin-3-ylidene)hexanehydrazide
CID 3789101

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide (CID 4596212) is N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide is CCCCCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide?
The InChIKey is AXNVQCRBGUOVKA-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-3-4-5-6-7-8-9-10-15-18(24)22-23-19-16-13-11-12-14-17(16)21-20(19)25/h11-14,21,25H,2-10,15H2,1H3/b23-22+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide has a molecular weight of 343.47 g/mol, XLogP of 6.40, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]dodecanamide is sourced from PubChem (CID 4596212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).