1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide

C18H25N3O3 — CID 44507744

IUPAC1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H25N3O3/c1-13(2)5-4-6-14(3)11-12-19-20-17(22)15-7-9-16(10-8-15)18(23)21-24/h5,7-10,12,14,24H,4,6,11H2,1-3H3,(H,20,22)(H,21,23)/b19-12+/t14-/m1/s1
InChIKeyQTKLSJLNFBDNAI-ONDHQXCVSA-N
MW331.42 g/mol
LogP3.29
Rot. Bonds8

About 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 44507744) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID44507744
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H25N3O3/c1-13(2)5-4-6-14(3)11-12-19-20-17(22)15-7-9-16(10-8-15)18(23)21-24/h5,7-10,12,14,24H,4,6,11H2,1-3H3,(H,20,22)(H,21,23)/b19-12+/t14-/m1/s1
InChIKeyQTKLSJLNFBDNAI-ONDHQXCVSA-N
XLogP3.29
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978
2-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 6902270
N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
3-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9656046
4-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9602691
3-(2-benzylidenehydrazinecarbonyl)-N-hydroxybenzamide
CID 44507542
4-Methyl-N'-[(E)-phenylmethylidene]benzohydrazide
CID 5331913
2,4-dimethyl-N-(phenacylideneamino)benzamide
CID 2431564
2-methyl-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 6875216
N-[(E)-2-ethylbutylideneamino]-2-fluorobenzamide
CID 9626425
2-fluoro-N-[(E)-2-phenylpropylideneamino]benzamide
CID 9666785
N'-[(1E)-3-phenylpropylidene]benzohydrazide
CID 9592741

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 44507744) is 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide is CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is QTKLSJLNFBDNAI-ONDHQXCVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)5-4-6-14(3)11-12-19-20-17(22)15-7-9-16(10-8-15)18(23)21-24/h5,7-10,12,14,24H,4,6,11H2,1-3H3,(H,20,22)(H,21,23)/b19-12+/t14-/m1/s1.
What are the key properties of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 44507744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).