N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide

C20H23N3O3 — CID 113095234

IUPACN-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)Nc2ccccc2)C2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-17-7-9-18(10-8-17)23(19-11-13-26-14-12-19)20(25)22-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWPLJEJHPGNDPPR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.86
Rot. Bonds4

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

N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide (PubChem CID 113095234) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
PubChem CID113095234
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)Nc2ccccc2)C2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-17-7-9-18(10-8-17)23(19-11-13-26-14-12-19)20(25)22-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWPLJEJHPGNDPPR-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-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-(4-acetamidophenyl)-2-methoxy-N-(oxan-4-yl)benzamide
CID 113095202
N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
CID 113095232
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
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
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
CID 57046607

Frequently Asked Questions

What is the IUPAC name of N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide (CID 113095234) is N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N(C(=O)Nc2ccccc2)C2CCOCC2)cc1.
What is the InChIKey of N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide?
The InChIKey is WPLJEJHPGNDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)21-17-7-9-18(10-8-17)23(19-11-13-26-14-12-19)20(25)22-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide?
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]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-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide is sourced from PubChem (CID 113095234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).