N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide

C19H30N2O2 — CID 138979202

IUPACN-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide
SMILESCC(=O)NCC/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H30N2O2/c1-13(22)21-9-8-20-12-14-10-15(18(2,3)4)11-16(17(14)23)19(5,6)7/h10-12,23H,8-9H2,1-7H3,(H,21,22)/b20-12+
InChIKeyIOUFSATWFAPGMO-UDWIEESQSA-N
MW318.46 g/mol
LogP3.54
Rot. Bonds4

About N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide

N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide (PubChem CID 138979202) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide
PubChem CID138979202
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide
SMILESCC(=O)NCC/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H30N2O2/c1-13(22)21-9-8-20-12-14-10-15(18(2,3)4)11-16(17(14)23)19(5,6)7/h10-12,23H,8-9H2,1-7H3,(H,21,22)/b20-12+
InChIKeyIOUFSATWFAPGMO-UDWIEESQSA-N
XLogP3.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide (CID 138979202) is N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide is CC(=O)NCC/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide?
The InChIKey is IOUFSATWFAPGMO-UDWIEESQSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(22)21-9-8-20-12-14-10-15(18(2,3)4)11-16(17(14)23)19(5,6)7/h10-12,23H,8-9H2,1-7H3,(H,21,22)/b20-12+.
What are the key properties of N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide?
N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide is sourced from PubChem (CID 138979202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).