N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide

C18H20N2O3 — CID 40604063

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-4-15(14-10-11-16(22-2)17(12-14)23-3)19-20-18(21)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,21)/b19-15-
InChIKeyIBUSBPVDJZTFMK-CYVLTUHYSA-N
MW312.37 g/mol
LogP3.25
Rot. Bonds6

About N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide

N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide (PubChem CID 40604063) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
PubChem CID40604063
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-4-15(14-10-11-16(22-2)17(12-14)23-3)19-20-18(21)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,21)/b19-15-
InChIKeyIBUSBPVDJZTFMK-CYVLTUHYSA-N
XLogP3.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
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

N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126143054
[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
CID 135560290
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
N-[1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 4845784
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
1-[1-(3,4-dimethoxyphenyl)propylideneamino]-3-propan-2-ylthiourea
CID 5024066

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide (CID 40604063) is N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide is CC/C(=N/NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide?
The InChIKey is IBUSBPVDJZTFMK-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-15(14-10-11-16(22-2)17(12-14)23-3)19-20-18(21)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,21)/b19-15-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 40604063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).