(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

C37H44N2O4 — CID 5494863

IUPAC(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(CCCCC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C37H44N2O4/c40-31(25-39-30(21-27-14-6-2-7-15-27)24-37(36(39)43)18-10-3-11-19-37)22-29(20-26-12-4-1-5-13-26)35(42)38-34-32-17-9-8-16-28(32)23-33(34)41/h1-2,4-9,12-17,29-31,33-34,40-41H,3,10-11,18-25H2,(H,38,42)/t29-,30+,31+,33-,34+/m1/s1
InChIKeyXJRDHWPDPPVFPQ-FWLJPKAVSA-N
MW580.77 g/mol
LogP5.16
Rot. Bonds10

About (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (PubChem CID 5494863) has the molecular formula C37H44N2O4 and a molecular weight of 580.77 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide.

Molecular Properties

Compound Name(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
PubChem CID5494863
Molecular FormulaC37H44N2O4
Molecular Weight580.77 g/mol
Exact Mass580.33
IUPAC Name(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(CCCCC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C37H44N2O4/c40-31(25-39-30(21-27-14-6-2-7-15-27)24-37(36(39)43)18-10-3-11-19-37)22-29(20-26-12-4-1-5-13-26)35(42)38-34-32-17-9-8-16-28(32)23-33(34)41/h1-2,4-9,12-17,29-31,33-34,40-41H,3,10-11,18-25H2,(H,38,42)/t29-,30+,31+,33-,34+/m1/s1
InChIKeyXJRDHWPDPPVFPQ-FWLJPKAVSA-N
XLogP5.16
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.77
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
The IUPAC name of (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (CID 5494863) is (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide.
What is the SMILES notation for (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
The canonical SMILES for (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(CCCCC2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
The InChIKey is XJRDHWPDPPVFPQ-FWLJPKAVSA-N. The full InChI is InChI=1S/C37H44N2O4/c40-31(25-39-30(21-27-14-6-2-7-15-27)24-37(36(39)43)18-10-3-11-19-37)22-29(20-26-12-4-1-5-13-26)35(42)38-34-32-17-9-8-16-28(32)23-33(34)41/h1-2,4-9,12-17,29-31,33-34,40-41H,3,10-11,18-25H2,(H,38,42)/t29-,30+,31+,33-,34+/m1/s1.
What are the key properties of (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide has a molecular weight of 580.77 g/mol, XLogP of 5.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is sourced from PubChem (CID 5494863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).