4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide

C20H24N2O2 — CID 4927373

IUPAC4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)12-13-24-19-10-8-18(9-11-19)20(23)22-21-14-17-6-4-16(3)5-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyYCLIWDDAANUYQV-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.18
Rot. Bonds7

About 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide

4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide (PubChem CID 4927373) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
PubChem CID4927373
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)12-13-24-19-10-8-18(9-11-19)20(23)22-21-14-17-6-4-16(3)5-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyYCLIWDDAANUYQV-UHFFFAOYSA-N
XLogP4.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 8979784
4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4927369
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide (CID 4927373) is 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is YCLIWDDAANUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)12-13-24-19-10-8-18(9-11-19)20(23)22-21-14-17-6-4-16(3)5-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide?
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4927373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).