N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide

C14H18N2O2 — CID 5428181

IUPACN-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C)C1CC1
InChIInChI=1S/C14H18N2O2/c1-10-5-3-4-6-13(10)18-9-14(17)16-15-11(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,16,17)/b15-11+
InChIKeyHNDDHMVKSNSFNG-RVDMUPIBSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds5

About N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide

N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 5428181) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID5428181
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C)C1CC1
InChIInChI=1S/C14H18N2O2/c1-10-5-3-4-6-13(10)18-9-14(17)16-15-11(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,16,17)/b15-11+
InChIKeyHNDDHMVKSNSFNG-RVDMUPIBSA-N
XLogP2.28
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 ≤ 52.28
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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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide
CID 5420418
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
CID 6069598
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4282772

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide (CID 5428181) is N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide is C/C(=N\NC(=O)COc1ccccc1C)C1CC1.
What is the InChIKey of N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is HNDDHMVKSNSFNG-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-3-4-6-13(10)18-9-14(17)16-15-11(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,16,17)/b15-11+.
What are the key properties of N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 5428181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).