N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide

C23H22N2O3 — CID 17235390

IUPACN-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-8-6-7-11-21(16)28-17(2)22(26)24-19-12-14-20(15-13-19)25-23(27)18-9-4-3-5-10-18/h3-15,17H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXJRXGWQMKUISDH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.65
Rot. Bonds6

About N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide

N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide (PubChem CID 17235390) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
PubChem CID17235390
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-8-6-7-11-21(16)28-17(2)22(26)24-19-12-14-20(15-13-19)25-23(27)18-9-4-3-5-10-18/h3-15,17H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXJRXGWQMKUISDH-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide
CID 17195203
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
CID 43887670
2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166532
2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196352
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide (CID 17235390) is N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide is Cc1ccccc1OC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide?
The InChIKey is XJRXGWQMKUISDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-8-6-7-11-21(16)28-17(2)22(26)24-19-12-14-20(15-13-19)25-23(27)18-9-4-3-5-10-18/h3-15,17H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide?
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 17235390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).