N-(cyclopentylideneamino)-3,4-dimethoxybenzamide

C14H18N2O3 — CID 4191717

IUPACN-(cyclopentylideneamino)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C2CCCC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-18-12-8-7-10(9-13(12)19-2)14(17)16-15-11-5-3-4-6-11/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyXMDROOYANQVMHT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.36
Rot. Bonds4

About N-(cyclopentylideneamino)-3,4-dimethoxybenzamide

N-(cyclopentylideneamino)-3,4-dimethoxybenzamide (PubChem CID 4191717) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-3,4-dimethoxybenzamide
PubChem CID4191717
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(cyclopentylideneamino)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C2CCCC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-18-12-8-7-10(9-13(12)19-2)14(17)16-15-11-5-3-4-6-11/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyXMDROOYANQVMHT-UHFFFAOYSA-N
XLogP2.36
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.36
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-(cyclopentylideneamino)-3,4-dimethoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-3,4-dimethoxybenzamide?
The IUPAC name of N-(cyclopentylideneamino)-3,4-dimethoxybenzamide (CID 4191717) is N-(cyclopentylideneamino)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(cyclopentylideneamino)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NN=C2CCCC2)cc1OC.
What is the InChIKey of N-(cyclopentylideneamino)-3,4-dimethoxybenzamide?
The InChIKey is XMDROOYANQVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-12-8-7-10(9-13(12)19-2)14(17)16-15-11-5-3-4-6-11/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-(cyclopentylideneamino)-3,4-dimethoxybenzamide?
N-(cyclopentylideneamino)-3,4-dimethoxybenzamide has a molecular weight of 262.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-3,4-dimethoxybenzamide is sourced from PubChem (CID 4191717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).