N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide

C17H24N2O2 — CID 3379607

IUPACN-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN=C2CCCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13-9-14(2)11-16(10-13)21-12-17(20)19-18-15-7-5-3-4-6-8-15/h9-11H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyGUHHJEJWLGVZBM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.51
Rot. Bonds4

About N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide

N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 3379607) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID3379607
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN=C2CCCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13-9-14(2)11-16(10-13)21-12-17(20)19-18-15-7-5-3-4-6-8-15/h9-11H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyGUHHJEJWLGVZBM-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
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
N-(cyclooctylideneamino)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 54786862
N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5062453
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-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 46741812

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide (CID 3379607) is N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NN=C2CCCCCC2)c1.
What is the InChIKey of N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is GUHHJEJWLGVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-9-14(2)11-16(10-13)21-12-17(20)19-18-15-7-5-3-4-6-8-15/h9-11H,3-8,12H2,1-2H3,(H,19,20).
What are the key properties of N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 3379607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).