4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide

C16H23NO4 — CID 110418794

IUPAC4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCOC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-12(2)21-11-10-17-16(19)9-8-15(18)13-4-6-14(20-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19)
InChIKeyKTXLJVJDTRGRTB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.20
Rot. Bonds9

About 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide

4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 110418794) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID110418794
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCOC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-12(2)21-11-10-17-16(19)9-8-15(18)13-4-6-14(20-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19)
InChIKeyKTXLJVJDTRGRTB-UHFFFAOYSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119506776
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127
4-(3,4-dimethylphenyl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 108796702
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 2028921
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide (CID 110418794) is 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide is COc1ccc(C(=O)CCC(=O)NCCOC(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is KTXLJVJDTRGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)21-11-10-17-16(19)9-8-15(18)13-4-6-14(20-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide?
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide has a molecular weight of 293.36 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 110418794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).