[3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate

C23H29NO3 — CID 155524867

IUPAC[3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H29NO3/c1-17(2)15-19-9-11-21(12-10-19)18(3)23(26)27-14-13-22(25)24-16-20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3,(H,24,25)
InChIKeySVBHMPVDGHLTPW-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.24
Rot. Bonds9

About [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate

[3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 155524867) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name[3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID155524867
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name[3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H29NO3/c1-17(2)15-19-9-11-21(12-10-19)18(3)23(26)27-14-13-22(25)24-16-20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3,(H,24,25)
InChIKeySVBHMPVDGHLTPW-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate (CID 155524867) is [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OCCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is SVBHMPVDGHLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(2)15-19-9-11-21(12-10-19)18(3)23(26)27-14-13-22(25)24-16-20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3,(H,24,25).
What are the key properties of [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate?
[3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 367.49 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylamino)-3-oxopropyl] 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 155524867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).