N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide

C23H36N2O2 — CID 54785656

IUPACN-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C23H36N2O2/c1-19(2)21-16-12-13-17-22(21)27-18-23(26)25-24-20-14-10-8-6-4-3-5-7-9-11-15-20/h12-13,16-17,19H,3-11,14-15,18H2,1-2H3,(H,25,26)
InChIKeyZFTAHHHCXKEXEC-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.97
Rot. Bonds5

About N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide

N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 54785656) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID54785656
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C23H36N2O2/c1-19(2)21-16-12-13-17-22(21)27-18-23(26)25-24-20-14-10-8-6-4-3-5-7-9-11-15-20/h12-13,16-17,19H,3-11,14-15,18H2,1-2H3,(H,25,26)
InChIKeyZFTAHHHCXKEXEC-UHFFFAOYSA-N
XLogP5.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.97
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'}

Analyze N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922595
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide
CID 6520128
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5062453

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide (CID 54785656) is N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NN=C1CCCCCCCCCCC1.
What is the InChIKey of N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZFTAHHHCXKEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-19(2)21-16-12-13-17-22(21)27-18-23(26)25-24-20-14-10-8-6-4-3-5-7-9-11-15-20/h12-13,16-17,19H,3-11,14-15,18H2,1-2H3,(H,25,26).
What are the key properties of N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 372.55 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 54785656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).