3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide

C20H24N2O4 — CID 5236851

IUPAC3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)13-26-17-7-5-15(6-8-17)12-21-22-20(23)16-9-18(24-3)11-19(10-16)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyDWBUBTSXSLAZHA-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.50
Rot. Bonds8

About 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide

3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide (PubChem CID 5236851) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide
PubChem CID5236851
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)13-26-17-7-5-15(6-8-17)12-21-22-20(23)16-9-18(24-3)11-19(10-16)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyDWBUBTSXSLAZHA-UHFFFAOYSA-N
XLogP3.50
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4035546
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6079252
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620
3,4-dimethoxy-N-[2-[2-[[4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4023456
N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6035728
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
N-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4051654
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide (CID 5236851) is 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide is COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide?
The InChIKey is DWBUBTSXSLAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)13-26-17-7-5-15(6-8-17)12-21-22-20(23)16-9-18(24-3)11-19(10-16)25-4/h5-12,14H,13H2,1-4H3,(H,22,23).
What are the key properties of 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide?
3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 5236851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).