3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide

C28H33N3O2 — CID 71696129

IUPAC3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
SMILESCC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCCC2)c1ccccc1
InChIInChI=1S/C28H33N3O2/c1-3-23(20-13-7-5-8-14-20)29-27(32)22-19-26(31-18-12-11-17-25(22)31)28(33)30-24(4-2)21-15-9-6-10-16-21/h5-10,13-16,19,23-24H,3-4,11-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1
InChIKeyIEUZTMUZCOORCY-RPWUZVMVSA-N
MW443.59 g/mol
LogP5.59
Rot. Bonds8

About 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide

3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide (PubChem CID 71696129) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
PubChem CID71696129
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
SMILESCC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCCC2)c1ccccc1
InChIInChI=1S/C28H33N3O2/c1-3-23(20-13-7-5-8-14-20)29-27(32)22-19-26(31-18-12-11-17-25(22)31)28(33)30-24(4-2)21-15-9-6-10-16-21/h5-10,13-16,19,23-24H,3-4,11-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1
InChIKeyIEUZTMUZCOORCY-RPWUZVMVSA-N
XLogP5.59
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide (CID 71696129) is 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide is CC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCCC2)c1ccccc1.
What is the InChIKey of 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The InChIKey is IEUZTMUZCOORCY-RPWUZVMVSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-3-23(20-13-7-5-8-14-20)29-27(32)22-19-26(31-18-12-11-17-25(22)31)28(33)30-24(4-2)21-15-9-6-10-16-21/h5-10,13-16,19,23-24H,3-4,11-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1.
What are the key properties of 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide has a molecular weight of 443.59 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide is sourced from PubChem (CID 71696129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).