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

C14H18N2O2 — CID 6874718

IUPACN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)C1CC1
InChIInChI=1S/C14H18N2O2/c1-10(2)18-13-6-4-3-5-12(13)9-15-16-14(17)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3,(H,16,17)/b15-9+
InChIKeyIDZFLUZMYXTLOL-OQLLNIDSSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds5

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

N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 6874718) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID6874718
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)C1CC1
InChIInChI=1S/C14H18N2O2/c1-10(2)18-13-6-4-3-5-12(13)9-15-16-14(17)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3,(H,16,17)/b15-9+
InChIKeyIDZFLUZMYXTLOL-OQLLNIDSSA-N
XLogP2.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
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]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 6874718) is N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide is CC(C)Oc1ccccc1/C=N/NC(=O)C1CC1.
What is the InChIKey of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is IDZFLUZMYXTLOL-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)18-13-6-4-3-5-12(13)9-15-16-14(17)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.33, 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]cyclopropanecarboxamide is sourced from PubChem (CID 6874718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).