N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide

C18H26N2O3 — CID 25237217

IUPACN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1OC(C)C
InChIInChI=1S/C18H26N2O3/c1-4-22-17-11-14(9-10-16(17)23-13(2)3)12-19-20-18(21)15-7-5-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,20,21)/b19-12+
InChIKeyHZMARIFETGHARH-XDHOZWIPSA-N
MW318.42 g/mol
LogP3.51
Rot. Bonds7

About N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237217) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237217
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1OC(C)C
InChIInChI=1S/C18H26N2O3/c1-4-22-17-11-14(9-10-16(17)23-13(2)3)12-19-20-18(21)15-7-5-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,20,21)/b19-12+
InChIKeyHZMARIFETGHARH-XDHOZWIPSA-N
XLogP3.51
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 25237217) is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide is CCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1OC(C)C.
What is the InChIKey of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is HZMARIFETGHARH-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-22-17-11-14(9-10-16(17)23-13(2)3)12-19-20-18(21)15-7-5-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).