N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide

C17H24N2O3 — CID 113094156

IUPACN-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N(C(C)=O)C2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-3-4-17(21)18-14-5-7-15(8-6-14)19(13(2)20)16-9-11-22-12-10-16/h5-8,16H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyGCDOSWJHRTZKGR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.96
Rot. Bonds5

About N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide

N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide (PubChem CID 113094156) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
PubChem CID113094156
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N(C(C)=O)C2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-3-4-17(21)18-14-5-7-15(8-6-14)19(13(2)20)16-9-11-22-12-10-16/h5-8,16H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyGCDOSWJHRTZKGR-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
CID 113094193
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
CID 113094220
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide?
The IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide (CID 113094156) is N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide?
The canonical SMILES for N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide is CCCC(=O)Nc1ccc(N(C(C)=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide?
The InChIKey is GCDOSWJHRTZKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-17(21)18-14-5-7-15(8-6-14)19(13(2)20)16-9-11-22-12-10-16/h5-8,16H,3-4,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide?
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide has a molecular weight of 304.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide is sourced from PubChem (CID 113094156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).