3-oxo-N-(4-propan-2-yloxyphenyl)butanamide

C13H17NO3 — CID 28969935

IUPAC3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(=O)CC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)17-12-6-4-11(5-7-12)14-13(16)8-10(3)15/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyGZJIHNROBIWWID-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds5

About 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide

3-oxo-N-(4-propan-2-yloxyphenyl)butanamide (PubChem CID 28969935) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
PubChem CID28969935
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(=O)CC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)17-12-6-4-11(5-7-12)14-13(16)8-10(3)15/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyGZJIHNROBIWWID-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide (CID 28969935) is 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide is CC(=O)CC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
The InChIKey is GZJIHNROBIWWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)17-12-6-4-11(5-7-12)14-13(16)8-10(3)15/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide has a molecular weight of 235.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 28969935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).