N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide

C15H19NO3 — CID 110477390

IUPACN-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
SMILESCOc1ccc(C2(NC(=O)CC(C)=O)CCC2)cc1
InChIInChI=1S/C15H19NO3/c1-11(17)10-14(18)16-15(8-3-9-15)12-4-6-13(19-2)7-5-12/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyZTPCOQSXUOXTRT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds5

About N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide

N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide (PubChem CID 110477390) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
PubChem CID110477390
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
SMILESCOc1ccc(C2(NC(=O)CC(C)=O)CCC2)cc1
InChIInChI=1S/C15H19NO3/c1-11(17)10-14(18)16-15(8-3-9-15)12-4-6-13(19-2)7-5-12/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyZTPCOQSXUOXTRT-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.17
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-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
N-[1-(4-methoxyphenyl)cyclobutyl]cyclopropanecarboxamide
CID 110478167
N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide
CID 166410805
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-(4-methoxyphenyl)cyclopentyl]acetamide
CID 71935168
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide (CID 110477390) is N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide is COc1ccc(C2(NC(=O)CC(C)=O)CCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide?
The InChIKey is ZTPCOQSXUOXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)10-14(18)16-15(8-3-9-15)12-4-6-13(19-2)7-5-12/h4-7H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide?
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide has a molecular weight of 261.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide is sourced from PubChem (CID 110477390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).