N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide

C17H25N3O3 — CID 113095241

IUPACN-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)NC(C)C)C2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)18-17(22)20(16-8-10-23-11-9-16)15-6-4-14(5-7-15)19-13(3)21/h4-7,12,16H,8-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyRGHYHOXICUHIMF-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.75
Rot. Bonds4

About N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide

N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide (PubChem CID 113095241) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
PubChem CID113095241
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)NC(C)C)C2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)18-17(22)20(16-8-10-23-11-9-16)15-6-4-14(5-7-15)19-13(3)21/h4-7,12,16H,8-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyRGHYHOXICUHIMF-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
1-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]-3-propan-2-ylurea
CID 113094462
N-(4-acetamidophenyl)-2-methoxy-N-(oxan-4-yl)benzamide
CID 113095202
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
N-(4-acetamidophenyl)-N-cyclopropyloxolane-2-carboxamide
CID 113095065
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
CID 113095232

Frequently Asked Questions

What is the IUPAC name of N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide (CID 113095241) is N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N(C(=O)NC(C)C)C2CCOCC2)cc1.
What is the InChIKey of N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
The InChIKey is RGHYHOXICUHIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)18-17(22)20(16-8-10-23-11-9-16)15-6-4-14(5-7-15)19-13(3)21/h4-7,12,16H,8-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide is sourced from PubChem (CID 113095241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).