N-(1-phenylbutylideneamino)-2-propoxybenzamide

C20H24N2O2 — CID 4931478

IUPACN-(1-phenylbutylideneamino)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=C(CCC)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-10-18(16-11-6-5-7-12-16)21-22-20(23)17-13-8-9-14-19(17)24-15-4-2/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23)
InChIKeySEODZIWCLPXDOO-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.41
Rot. Bonds8

About N-(1-phenylbutylideneamino)-2-propoxybenzamide

N-(1-phenylbutylideneamino)-2-propoxybenzamide (PubChem CID 4931478) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(1-phenylbutylideneamino)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(1-phenylbutylideneamino)-2-propoxybenzamide
PubChem CID4931478
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(1-phenylbutylideneamino)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=C(CCC)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-10-18(16-11-6-5-7-12-16)21-22-20(23)17-13-8-9-14-19(17)24-15-4-2/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23)
InChIKeySEODZIWCLPXDOO-UHFFFAOYSA-N
XLogP4.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.41
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'}

Analyze N-(1-phenylbutylideneamino)-2-propoxybenzamide 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

2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
phenyl-(2-propoxyphenyl)methanone
CID 15556308
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
N-(2-phenylethylideneamino)-2-propoxybenzamide
CID 4931468
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
2-propoxy-N-propylbenzamide
CID 58831728

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutylideneamino)-2-propoxybenzamide?
The IUPAC name of N-(1-phenylbutylideneamino)-2-propoxybenzamide (CID 4931478) is N-(1-phenylbutylideneamino)-2-propoxybenzamide.
What is the SMILES notation for N-(1-phenylbutylideneamino)-2-propoxybenzamide?
The canonical SMILES for N-(1-phenylbutylideneamino)-2-propoxybenzamide is CCCOc1ccccc1C(=O)NN=C(CCC)c1ccccc1.
What is the InChIKey of N-(1-phenylbutylideneamino)-2-propoxybenzamide?
The InChIKey is SEODZIWCLPXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-10-18(16-11-6-5-7-12-16)21-22-20(23)17-13-8-9-14-19(17)24-15-4-2/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23).
What are the key properties of N-(1-phenylbutylideneamino)-2-propoxybenzamide?
N-(1-phenylbutylideneamino)-2-propoxybenzamide has a molecular weight of 324.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutylideneamino)-2-propoxybenzamide is sourced from PubChem (CID 4931478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).