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

C18H25N3O3 — CID 44507019

IUPAC1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESCC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)6-4-7-14(3)10-11-19-20-17(22)15-8-5-9-16(12-15)18(23)21-24/h5-6,8-9,11-12,14,24H,4,7,10H2,1-3H3,(H,20,22)(H,21,23)/b19-11+/t14-/m1/s1
InChIKeyCKZKKPIGBWMSDP-HIPSJFSSSA-N
MW331.42 g/mol
LogP3.29
Rot. Bonds8

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

1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 44507019) 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]-3-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID44507019
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESCC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)6-4-7-14(3)10-11-19-20-17(22)15-8-5-9-16(12-15)18(23)21-24/h5-6,8-9,11-12,14,24H,4,7,10H2,1-3H3,(H,20,22)(H,21,23)/b19-11+/t14-/m1/s1
InChIKeyCKZKKPIGBWMSDP-HIPSJFSSSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
3-(2-benzylidenehydrazinecarbonyl)-N-hydroxybenzamide
CID 44507542
N-[(E)-2-ethylbutylideneamino]-2-fluorobenzamide
CID 9626425
N'-[(1E)-3-phenylpropylidene]benzohydrazide
CID 9592741
N'-((1E)-2,2-dimethylpropylidene)benzohydrazide
CID 11564693
Benzoic acid, 2-(2-methylpropylidene)hydrazide
CID 112687
N'-(2-Methylpropylidene)benzohydrazide
CID 9563269
3-fluoro-N'-[(1E)-propylidene]benzohydrazide
CID 9676141
N'-[(2Z,3E)-3-(hydroxyimino)butan-2-ylidene]-4-methylbenzohydrazide
CID 135404035
N-[(E)-ethylideneamino]benzamide
CID 9574240
N-[(E)-benzylideneamino]-3-methylbenzamide
CID 9616462
N-[(E)-[(5E)-5-(benzoylhydrazinylidene)pentylidene]amino]benzamide
CID 145983682

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide (CID 44507019) is 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide is CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1.
What is the InChIKey of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is CKZKKPIGBWMSDP-HIPSJFSSSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)6-4-7-14(3)10-11-19-20-17(22)15-8-5-9-16(12-15)18(23)21-24/h5-6,8-9,11-12,14,24H,4,7,10H2,1-3H3,(H,20,22)(H,21,23)/b19-11+/t14-/m1/s1.
What are the key properties of 1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-dicarboxamide?
1-N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-N-hydroxybenzene-1,3-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]-3-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 44507019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).