3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide

C16H24N2O3 — CID 5146609

IUPAC3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=C(C)CCC(C)C)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(2)6-7-12(3)17-18-16(19)13-8-9-14(20-4)15(10-13)21-5/h8-11H,6-7H2,1-5H3,(H,18,19)
InChIKeyMZJPSWZPCUHEQI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.25
Rot. Bonds7

About 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide

3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide (PubChem CID 5146609) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
PubChem CID5146609
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=C(C)CCC(C)C)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(2)6-7-12(3)17-18-16(19)13-8-9-14(20-4)15(10-13)21-5/h8-11H,6-7H2,1-5H3,(H,18,19)
InChIKeyMZJPSWZPCUHEQI-UHFFFAOYSA-N
XLogP3.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.25
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

3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 3995777
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
3,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6035808
N-[[4-(3,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3407014
N-[[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3130009
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
4-[(2,6-dibromo-4-methylphenoxy)methyl]-N-[(Z)-5-methylhexan-2-ylideneamino]benzamide
CID 6293346
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
CID 9215818
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285
N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide
CID 932230
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide (CID 5146609) is 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide is COc1ccc(C(=O)NN=C(C)CCC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
The InChIKey is MZJPSWZPCUHEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)6-7-12(3)17-18-16(19)13-8-9-14(20-4)15(10-13)21-5/h8-11H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide has a molecular weight of 292.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide is sourced from PubChem (CID 5146609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).