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

C17H24N2O2 — CID 3652246

IUPACN-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-16-11-9-14(10-12-16)13-17(20)19-18-15-7-5-3-2-4-6-8-15/h9-12H,2-8,13H2,1H3,(H,19,20)
InChIKeyWITKIBQJPIKUOK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.45
Rot. Bonds4

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

N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide (PubChem CID 3652246) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide
PubChem CID3652246
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-16-11-9-14(10-12-16)13-17(20)19-18-15-7-5-3-2-4-6-8-15/h9-12H,2-8,13H2,1H3,(H,19,20)
InChIKeyWITKIBQJPIKUOK-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide
CID 4075219
N-[(2-ethylcyclopentylidene)amino]-2-(4-methoxyphenyl)acetamide
CID 4506010
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N-(cycloheptylideneamino)-2-pyridin-3-ylacetamide
CID 4206175
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide (CID 3652246) is N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NN=C2CCCCCCC2)cc1.
What is the InChIKey of N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide?
The InChIKey is WITKIBQJPIKUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16-11-9-14(10-12-16)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-methoxyphenyl)acetamide?
N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.45, 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-methoxyphenyl)acetamide is sourced from PubChem (CID 3652246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).