N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide

C17H20N2O3 — CID 4927464

IUPACN-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-13(2)9-11-22-15-7-5-14(6-8-15)17(20)19-18-12-16-4-3-10-21-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,19,20)
InChIKeyYELPOCWJNJUVMG-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.47
Rot. Bonds7

About N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide

N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide (PubChem CID 4927464) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
PubChem CID4927464
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-13(2)9-11-22-15-7-5-14(6-8-15)17(20)19-18-12-16-4-3-10-21-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,19,20)
InChIKeyYELPOCWJNJUVMG-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.47
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'}

Analyze N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide
CID 3749870
4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 75087446
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927417
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4927369

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide (CID 4927464) is N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)NN=Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide?
The InChIKey is YELPOCWJNJUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(2)9-11-22-15-7-5-14(6-8-15)17(20)19-18-12-16-4-3-10-21-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide?
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide has a molecular weight of 300.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4927464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).