4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide

C23H22N2O3 — CID 17359274

IUPAC4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H22N2O3/c1-16-8-13-21(14-17(16)2)28-15-22(26)24-20-11-9-18(10-12-20)23(27)25-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAZYKSZUHKNDCJY-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds6

About 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide (PubChem CID 17359274) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
PubChem CID17359274
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H22N2O3/c1-16-8-13-21(14-17(16)2)28-15-22(26)24-20-11-9-18(10-12-20)23(27)25-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAZYKSZUHKNDCJY-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887543
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1193357
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide (CID 17359274) is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide is Cc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1C.
What is the InChIKey of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide?
The InChIKey is AZYKSZUHKNDCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-8-13-21(14-17(16)2)28-15-22(26)24-20-11-9-18(10-12-20)23(27)25-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide?
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 17359274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).