N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C19H30N2O2 — CID 54784829

IUPACN-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCCCC/C(C)=N/NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C19H30N2O2/c1-6-7-8-9-16(5)20-21-19(22)13-23-18-12-15(4)10-11-17(18)14(2)3/h10-12,14H,6-9,13H2,1-5H3,(H,21,22)/b20-16+
InChIKeyLSNJIUNKNBQXSY-CAPFRKAQSA-N
MW318.46 g/mol
LogP4.57
Rot. Bonds9

About N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 54784829) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID54784829
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCCCC/C(C)=N/NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C19H30N2O2/c1-6-7-8-9-16(5)20-21-19(22)13-23-18-12-15(4)10-11-17(18)14(2)3/h10-12,14H,6-9,13H2,1-5H3,(H,21,22)/b20-16+
InChIKeyLSNJIUNKNBQXSY-CAPFRKAQSA-N
XLogP4.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
2-(4-bromo-2-methylphenoxy)-N-[(E)-heptan-2-ylideneamino]acetamide
CID 54784717
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5419872
N-[(E)-1-(3-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 18205959
N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5174343

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 54784829) is N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CCCCC/C(C)=N/NC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is LSNJIUNKNBQXSY-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-7-8-9-16(5)20-21-19(22)13-23-18-12-15(4)10-11-17(18)14(2)3/h10-12,14H,6-9,13H2,1-5H3,(H,21,22)/b20-16+.
What are the key properties of N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 318.46 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 54784829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).