3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide

C26H29N3O2 — CID 123457893

IUPAC3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
SMILESCCC(NC(=O)c1cc(C(=O)NCc2ccccc2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-2-22(20-13-7-4-8-14-20)28-25(30)21-17-24(29-16-10-9-15-23(21)29)26(31)27-18-19-11-5-3-6-12-19/h3-8,11-14,17,22H,2,9-10,15-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyRYSKFLUHVACRTL-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.64
Rot. Bonds7

About 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide

3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide (PubChem CID 123457893) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
PubChem CID123457893
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
SMILESCCC(NC(=O)c1cc(C(=O)NCc2ccccc2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-2-22(20-13-7-4-8-14-20)28-25(30)21-17-24(29-16-10-9-15-23(21)29)26(31)27-18-19-11-5-3-6-12-19/h3-8,11-14,17,22H,2,9-10,15-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyRYSKFLUHVACRTL-UHFFFAOYSA-N
XLogP4.64
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(4-fluorophenyl)ethyl]-1-N-[(1S)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 71696132
3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 78151822
methyl 3-[[[8-(1-phenylpropylcarbamoyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]amino]methyl]benzoate
CID 123542135
2-methyl-3-oxo-N-[(1S)-1-phenylpropyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 129347202
8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123325887
5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid
CID 123682651
6-N-(cyclopropylmethyl)-6-N-methyl-8-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123845454
6-(2,2-dimethylpyrrolidine-1-carbonyl)-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123314351
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
methyl 1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate
CID 126514448
6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696451
6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide (CID 123457893) is 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide is CCC(NC(=O)c1cc(C(=O)NCc2ccccc2)n2c1CCCC2)c1ccccc1.
What is the InChIKey of 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The InChIKey is RYSKFLUHVACRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-2-22(20-13-7-4-8-14-20)28-25(30)21-17-24(29-16-10-9-15-23(21)29)26(31)27-18-19-11-5-3-6-12-19/h3-8,11-14,17,22H,2,9-10,15-16,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide is sourced from PubChem (CID 123457893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).