N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide

C16H22N2O2 — CID 25237219

IUPACN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)C1CCCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)20-15-10-6-5-9-14(15)11-17-18-16(19)13-7-3-4-8-13/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,19)/b17-11+
InChIKeyVPLWVGRMIBNKEN-GZTJUZNOSA-N
MW274.36 g/mol
LogP3.11
Rot. Bonds5

About N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237219) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237219
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)C1CCCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)20-15-10-6-5-9-14(15)11-17-18-16(19)13-7-3-4-8-13/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,19)/b17-11+
InChIKeyVPLWVGRMIBNKEN-GZTJUZNOSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.11
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 25237219) is N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide is CC(C)Oc1ccccc1/C=N/NC(=O)C1CCCC1.
What is the InChIKey of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is VPLWVGRMIBNKEN-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)20-15-10-6-5-9-14(15)11-17-18-16(19)13-7-3-4-8-13/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).