N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide

C15H18N4O2 — CID 129431621

IUPACN'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
SMILESCN1/C(=C/C=NNC(=O)C(N)=O)C(C)(C)c2ccccc21
InChIInChI=1S/C15H18N4O2/c1-15(2)10-6-4-5-7-11(10)19(3)12(15)8-9-17-18-14(21)13(16)20/h4-9H,1-3H3,(H2,16,20)(H,18,21)/b12-8+,17-9?
InChIKeyBLGXWQAFSPKDJD-LZVGRGQCSA-N
MW286.34 g/mol
LogP0.89
Rot. Bonds2

About N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide

N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide (PubChem CID 129431621) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide.

Molecular Properties

Compound NameN'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
PubChem CID129431621
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
SMILESCN1/C(=C/C=NNC(=O)C(N)=O)C(C)(C)c2ccccc21
InChIInChI=1S/C15H18N4O2/c1-15(2)10-6-4-5-7-11(10)19(3)12(15)8-9-17-18-14(21)13(16)20/h4-9H,1-3H3,(H2,16,20)(H,18,21)/b12-8+,17-9?
InChIKeyBLGXWQAFSPKDJD-LZVGRGQCSA-N
XLogP0.89
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
CID 9155558
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6906259
4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 2392923
1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
CID 110876822
3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 6900645
benzohydrazide;(2Z)-2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde;N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 172948088
3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide
CID 4553526
4-nitro-N-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 15945089
2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide
CID 3956805
2-(4-bromoanilino)-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6900084
2-(2-methoxyanilino)-N-[(Z)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6277923
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794

Frequently Asked Questions

What is the IUPAC name of N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide?
The IUPAC name of N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide (CID 129431621) is N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide.
What is the SMILES notation for N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide?
The canonical SMILES for N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide is CN1/C(=C/C=NNC(=O)C(N)=O)C(C)(C)c2ccccc21.
What is the InChIKey of N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide?
The InChIKey is BLGXWQAFSPKDJD-LZVGRGQCSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2)10-6-4-5-7-11(10)19(3)12(15)8-9-17-18-14(21)13(16)20/h4-9H,1-3H3,(H2,16,20)(H,18,21)/b12-8+,17-9?.
What are the key properties of N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide?
N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide has a molecular weight of 286.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide is sourced from PubChem (CID 129431621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).