2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide

C18H26N2O3 — CID 4193527

IUPAC2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
SMILESCCCCOc1ccc(OCC(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-13-22-16-9-11-17(12-10-16)23-14-18(21)20-19-15-7-5-4-6-8-15/h9-12H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyRHNGLHBKKNHOFE-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.68
Rot. Bonds8

About 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide

2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide (PubChem CID 4193527) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
PubChem CID4193527
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
SMILESCCCCOc1ccc(OCC(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-13-22-16-9-11-17(12-10-16)23-14-18(21)20-19-15-7-5-4-6-8-15/h9-12H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyRHNGLHBKKNHOFE-UHFFFAOYSA-N
XLogP3.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
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
N-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
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CID 29154497
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
N-(cyclooctylideneamino)-2-naphthalen-2-yloxyacetamide
CID 4674505
N-(cycloheptylideneamino)pentanamide
CID 3533607
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide (CID 4193527) is 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide is CCCCOc1ccc(OCC(=O)NN=C2CCCCC2)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide?
The InChIKey is RHNGLHBKKNHOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-3-13-22-16-9-11-17(12-10-16)23-14-18(21)20-19-15-7-5-4-6-8-15/h9-12H,2-8,13-14H2,1H3,(H,20,21).
What are the key properties of 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide?
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide is sourced from PubChem (CID 4193527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).