N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide

C17H24N2O2 — CID 54786886

IUPACN-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-14-9-11-16(12-10-14)21-13-17(20)19-18-15-7-5-3-2-4-6-8-15/h9-12H,2-8,13H2,1H3,(H,19,20)
InChIKeyMSEFVJKYEGTYDA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.59
Rot. Bonds4

About N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide

N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide (PubChem CID 54786886) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
PubChem CID54786886
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-14-9-11-16(12-10-14)21-13-17(20)19-18-15-7-5-3-2-4-6-8-15/h9-12H,2-8,13H2,1H3,(H,19,20)
InChIKeyMSEFVJKYEGTYDA-UHFFFAOYSA-N
XLogP3.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.59
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-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
N-(cyclooctylideneamino)-2-naphthalen-2-yloxyacetamide
CID 4674505
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3652246
N-(cyclooctylideneamino)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1103816

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide (CID 54786886) is N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NN=C2CCCCCCC2)cc1.
What is the InChIKey of N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide?
The InChIKey is MSEFVJKYEGTYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14-9-11-16(12-10-14)21-13-17(20)19-18-15-7-5-3-2-4-6-8-15/h9-12H,2-8,13H2,1H3,(H,19,20).
What are the key properties of N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide?
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 54786886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).