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

C21H24N2O4 — CID 113094176

IUPACN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C(C)=O)C3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-15(24)23(19-11-13-27-14-12-19)18-7-5-17(6-8-18)22-21(25)16-3-9-20(26-2)10-4-16/h3-10,19H,11-14H2,1-2H3,(H,22,25)
InChIKeyUPRPXMXSFUTCDB-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.48
Rot. Bonds5

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

N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide (PubChem CID 113094176) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
PubChem CID113094176
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C(C)=O)C3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-15(24)23(19-11-13-27-14-12-19)18-7-5-17(6-8-18)22-21(25)16-3-9-20(26-2)10-4-16/h3-10,19H,11-14H2,1-2H3,(H,22,25)
InChIKeyUPRPXMXSFUTCDB-UHFFFAOYSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-3,4-difluorobenzamide
CID 113094199
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-acetamidophenyl)-2-methoxy-N-(oxan-4-yl)benzamide
CID 113095202

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide (CID 113094176) is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N(C(C)=O)C3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide?
The InChIKey is UPRPXMXSFUTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(24)23(19-11-13-27-14-12-19)18-7-5-17(6-8-18)22-21(25)16-3-9-20(26-2)10-4-16/h3-10,19H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide?
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide has a molecular weight of 368.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 113094176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).