4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

C18H22N2O3 — CID 4927427

IUPAC4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)o1
InChIInChI=1S/C18H22N2O3/c1-13(2)10-11-22-16-8-5-15(6-9-16)18(21)20-19-12-17-7-4-14(3)23-17/h4-9,12-13H,10-11H2,1-3H3,(H,20,21)
InChIKeyCWTVTKYRJIRSOE-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.78
Rot. Bonds7

About 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 4927427) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID4927427
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)o1
InChIInChI=1S/C18H22N2O3/c1-13(2)10-11-22-16-8-5-15(6-9-16)18(21)20-19-12-17-7-4-14(3)23-17/h4-9,12-13H,10-11H2,1-3H3,(H,20,21)
InChIKeyCWTVTKYRJIRSOE-UHFFFAOYSA-N
XLogP3.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.78
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

4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4927369
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927417
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (CID 4927427) is 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)o1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is CWTVTKYRJIRSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)10-11-22-16-8-5-15(6-9-16)18(21)20-19-12-17-7-4-14(3)23-17/h4-9,12-13H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 314.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4927427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).