N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide

C20H24N2O3 — CID 2950825

IUPACN-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-14(2)13-21-20(24)16-8-7-9-17(12-16)22-19(23)15(3)25-18-10-5-4-6-11-18/h4-12,14-15H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRYSXUDXSQDVAFQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.48
Rot. Bonds7

About N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide

N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide (PubChem CID 2950825) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide
PubChem CID2950825
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-14(2)13-21-20(24)16-8-7-9-17(12-16)22-19(23)15(3)25-18-10-5-4-6-11-18/h4-12,14-15H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRYSXUDXSQDVAFQ-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide (CID 2950825) is N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide is CC(C)CNC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide?
The InChIKey is RYSXUDXSQDVAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)13-21-20(24)16-8-7-9-17(12-16)22-19(23)15(3)25-18-10-5-4-6-11-18/h4-12,14-15H,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide?
N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 2950825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).