N-cyclopentyl-2-(4-ethoxyanilino)acetamide

C15H22N2O2 — CID 28569669

IUPACN-cyclopentyl-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-19-14-9-7-12(8-10-14)16-11-15(18)17-13-5-3-4-6-13/h7-10,13,16H,2-6,11H2,1H3,(H,17,18)
InChIKeyAUYBDNNBLDSHKJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.56
Rot. Bonds6

About N-cyclopentyl-2-(4-ethoxyanilino)acetamide

N-cyclopentyl-2-(4-ethoxyanilino)acetamide (PubChem CID 28569669) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-ethoxyanilino)acetamide
PubChem CID28569669
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-cyclopentyl-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-19-14-9-7-12(8-10-14)16-11-15(18)17-13-5-3-4-6-13/h7-10,13,16H,2-6,11H2,1H3,(H,17,18)
InChIKeyAUYBDNNBLDSHKJ-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-ethoxyanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-ethoxyanilino)acetamide (CID 28569669) is N-cyclopentyl-2-(4-ethoxyanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-ethoxyanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-ethoxyanilino)acetamide is CCOc1ccc(NCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-ethoxyanilino)acetamide?
The InChIKey is AUYBDNNBLDSHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-14-9-7-12(8-10-14)16-11-15(18)17-13-5-3-4-6-13/h7-10,13,16H,2-6,11H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-2-(4-ethoxyanilino)acetamide?
N-cyclopentyl-2-(4-ethoxyanilino)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-ethoxyanilino)acetamide is sourced from PubChem (CID 28569669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).