2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide

C17H24N2O2 — CID 7823428

IUPAC2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C2/CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-14-7-9-16(10-8-14)21-12-17(20)19-18-15-6-4-5-13(2)11-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20)/b18-15-/t13-/m0/s1
InChIKeyHIWQRFFXBFMZPB-VLFBTDHHSA-N
MW288.39 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide

2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide (PubChem CID 7823428) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
PubChem CID7823428
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C2/CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-14-7-9-16(10-8-14)21-12-17(20)19-18-15-6-4-5-13(2)11-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20)/b18-15-/t13-/m0/s1
InChIKeyHIWQRFFXBFMZPB-VLFBTDHHSA-N
XLogP3.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.31
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

N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
CID 3270935
N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6916225
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 5428311
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 5419189
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
CID 7530082
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 4196468
4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide (CID 7823428) is 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide is CCc1ccc(OCC(=O)N/N=C2/CCC[C@H](C)C2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
The InChIKey is HIWQRFFXBFMZPB-VLFBTDHHSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14-7-9-16(10-8-14)21-12-17(20)19-18-15-6-4-5-13(2)11-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20)/b18-15-/t13-/m0/s1.
What are the key properties of 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 7823428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).