2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

C23H23N3O3 — CID 18164294

IUPAC2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1C
InChIInChI=1S/C23H23N3O3/c1-16-7-6-10-21(17(16)2)29-15-22(27)24-19-11-13-20(14-12-19)26-23(28)25-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyGCUPIARLXFSKBK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.96
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 18164294) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID18164294
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1C
InChIInChI=1S/C23H23N3O3/c1-16-7-6-10-21(17(16)2)29-15-22(27)24-19-11-13-20(14-12-19)26-23(28)25-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyGCUPIARLXFSKBK-UHFFFAOYSA-N
XLogP4.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
2-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 959330
propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720636
[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium
CID 7470149
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxybenzoic acid
CID 28675962
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (CID 18164294) is 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is GCUPIARLXFSKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-7-6-10-21(17(16)2)29-15-22(27)24-19-11-13-20(14-12-19)26-23(28)25-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 18164294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).