3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide

C14H20N2O3 — CID 6311607

IUPAC3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N\NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-5-6-10(2)15-16-14(17)11-7-8-12(18-3)13(9-11)19-4/h7-9H,5-6H2,1-4H3,(H,16,17)/b15-10-
InChIKeyRRIDOQRXMUIXFR-GDNBJRDFSA-N
MW264.32 g/mol
LogP2.61
Rot. Bonds6

About 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide

3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide (PubChem CID 6311607) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
PubChem CID6311607
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N\NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-5-6-10(2)15-16-14(17)11-7-8-12(18-3)13(9-11)19-4/h7-9H,5-6H2,1-4H3,(H,16,17)/b15-10-
InChIKeyRRIDOQRXMUIXFR-GDNBJRDFSA-N
XLogP2.61
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 5146609
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
3,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6035808
N-[[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3130009
N-[[4-(3,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3407014
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide
CID 932230
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide (CID 6311607) is 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide is CCC/C(C)=N\NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide?
The InChIKey is RRIDOQRXMUIXFR-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-6-10(2)15-16-14(17)11-7-8-12(18-3)13(9-11)19-4/h7-9H,5-6H2,1-4H3,(H,16,17)/b15-10-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide?
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide is sourced from PubChem (CID 6311607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).