3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide

C19H22N2O3 — CID 3988968

IUPAC3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
SMILESCCCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-8-16(14-9-6-5-7-10-14)20-21-19(22)15-11-12-17(23-2)18(13-15)24-3/h5-7,9-13H,4,8H2,1-3H3,(H,21,22)
InChIKeyQSAWVRKPLXAKJM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.64
Rot. Bonds7

About 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide

3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide (PubChem CID 3988968) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
PubChem CID3988968
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
SMILESCCCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-8-16(14-9-6-5-7-10-14)20-21-19(22)15-11-12-17(23-2)18(13-15)24-3/h5-7,9-13H,4,8H2,1-3H3,(H,21,22)
InChIKeyQSAWVRKPLXAKJM-UHFFFAOYSA-N
XLogP3.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.64
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-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6117993
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
N-[[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3130009
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide (CID 3988968) is 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide is CCCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide?
The InChIKey is QSAWVRKPLXAKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-8-16(14-9-6-5-7-10-14)20-21-19(22)15-11-12-17(23-2)18(13-15)24-3/h5-7,9-13H,4,8H2,1-3H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide?
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.64, 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-(1-phenylbutylideneamino)benzamide is sourced from PubChem (CID 3988968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).