N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide

C21H32N2O5 — CID 91388915

IUPACN'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide
SMILESCC(C)(C)c1cc(C(=O)CCOCCNC(=O)C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H32N2O5/c1-20(2,3)14-11-13(12-15(17(14)25)21(4,5)6)16(24)7-9-28-10-8-23-19(27)18(22)26/h11-12,25H,7-10H2,1-6H3,(H2,22,26)(H,23,27)
InChIKeyGUVDSYZRDGMGFD-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.18
Rot. Bonds7

About N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide

N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide (PubChem CID 91388915) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide
PubChem CID91388915
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC NameN'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide
SMILESCC(C)(C)c1cc(C(=O)CCOCCNC(=O)C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H32N2O5/c1-20(2,3)14-11-13(12-15(17(14)25)21(4,5)6)16(24)7-9-28-10-8-23-19(27)18(22)26/h11-12,25H,7-10H2,1-6H3,(H2,22,26)(H,23,27)
InChIKeyGUVDSYZRDGMGFD-UHFFFAOYSA-N
XLogP2.18
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide?
The IUPAC name of N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide (CID 91388915) is N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide.
What is the SMILES notation for N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide?
The canonical SMILES for N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide is CC(C)(C)c1cc(C(=O)CCOCCNC(=O)C(N)=O)cc(C(C)(C)C)c1O.
What is the InChIKey of N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide?
The InChIKey is GUVDSYZRDGMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-20(2,3)14-11-13(12-15(17(14)25)21(4,5)6)16(24)7-9-28-10-8-23-19(27)18(22)26/h11-12,25H,7-10H2,1-6H3,(H2,22,26)(H,23,27).
What are the key properties of N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide?
N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide has a molecular weight of 392.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropoxy]ethyl]oxamide is sourced from PubChem (CID 91388915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).