N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

C20H23N3O3 — CID 113094206

IUPACN-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)N(c1ccc(NC(=O)Nc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C20H23N3O3/c1-15(24)23(19-11-13-26-14-12-19)18-9-7-17(8-10-18)22-20(25)21-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H2,21,22,25)
InChIKeyJEXIUQASLNWGDO-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.86
Rot. Bonds4

About N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 113094206) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID113094206
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)N(c1ccc(NC(=O)Nc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C20H23N3O3/c1-15(24)23(19-11-13-26-14-12-19)18-9-7-17(8-10-18)22-20(25)21-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H2,21,22,25)
InChIKeyJEXIUQASLNWGDO-UHFFFAOYSA-N
XLogP3.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
CID 113094220
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
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-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide
CID 113094228
N-(4-acetamidophenyl)-2-methoxy-N-(oxan-4-yl)benzamide
CID 113095202
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (CID 113094206) is N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is CC(=O)N(c1ccc(NC(=O)Nc2ccccc2)cc1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is JEXIUQASLNWGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)23(19-11-13-26-14-12-19)18-9-7-17(8-10-18)22-20(25)21-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H2,21,22,25).
What are the key properties of N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 113094206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).