2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C24H24N2O3 — CID 7894290

IUPAC2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17-12-14-20(15-13-17)29-16-23(27)26-22-11-7-6-10-21(22)24(28)25-18(2)19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyCZGPDJPEYFHNDL-SFHVURJKSA-N
MW388.47 g/mol
LogP4.50
Rot. Bonds7

About 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 7894290) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID7894290
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17-12-14-20(15-13-17)29-16-23(27)26-22-11-7-6-10-21(22)24(28)25-18(2)19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyCZGPDJPEYFHNDL-SFHVURJKSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 7894290) is 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is CZGPDJPEYFHNDL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-12-14-20(15-13-17)29-16-23(27)26-22-11-7-6-10-21(22)24(28)25-18(2)19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1.
What are the key properties of 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 7894290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).