4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide

C17H25NO3 — CID 110297948

IUPAC4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
SMILESCOCCNC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)14-7-5-13(6-8-14)15(19)9-10-16(20)18-11-12-21-4/h5-8H,9-12H2,1-4H3,(H,18,20)
InChIKeyLLXDLSKQFVZBER-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.71
Rot. Bonds7

About 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide

4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide (PubChem CID 110297948) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
PubChem CID110297948
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
SMILESCOCCNC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)14-7-5-13(6-8-14)15(19)9-10-16(20)18-11-12-21-4/h5-8H,9-12H2,1-4H3,(H,18,20)
InChIKeyLLXDLSKQFVZBER-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
CID 110297944
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
CID 70934716
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide (CID 110297948) is 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide is COCCNC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide?
The InChIKey is LLXDLSKQFVZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)14-7-5-13(6-8-14)15(19)9-10-16(20)18-11-12-21-4/h5-8H,9-12H2,1-4H3,(H,18,20).
What are the key properties of 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide?
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide has a molecular weight of 291.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide is sourced from PubChem (CID 110297948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).