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

C21H24N2O3 — CID 113094170

IUPACN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C1CCOCC1
InChIInChI=1S/C21H24N2O3/c1-15-3-5-17(6-4-15)21(25)22-18-7-9-19(10-8-18)23(16(2)24)20-11-13-26-14-12-20/h3-10,20H,11-14H2,1-2H3,(H,22,25)
InChIKeyCBNUJAAXOLMDQW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds4

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

N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide (PubChem CID 113094170) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
PubChem CID113094170
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C1CCOCC1
InChIInChI=1S/C21H24N2O3/c1-15-3-5-17(6-4-15)21(25)22-18-7-9-19(10-8-18)23(16(2)24)20-11-13-26-14-12-20/h3-10,20H,11-14H2,1-2H3,(H,22,25)
InChIKeyCBNUJAAXOLMDQW-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
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]butanamide
CID 113094156
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
CID 113094445

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide (CID 113094170) is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide is CC(=O)N(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide?
The InChIKey is CBNUJAAXOLMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-3-5-17(6-4-15)21(25)22-18-7-9-19(10-8-18)23(16(2)24)20-11-13-26-14-12-20/h3-10,20H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide?
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.78, 4 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]-4-methylbenzamide is sourced from PubChem (CID 113094170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).