(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide

C27H29NO3 — CID 5480787

IUPAC(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide
SMILESO=C(NC1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)Cc1ccccc1
InChIInChI=1S/C27H29NO3/c29-23(16-20-11-5-2-6-12-20)17-22(15-19-9-3-1-4-10-19)27(31)28-26-24-14-8-7-13-21(24)18-25(26)30/h1-14,22-23,25-26,29-30H,15-18H2,(H,28,31)/t22-,23-,25-,26?/m1/s1
InChIKeySZISKWJASZOXHF-RFQYHVMASA-N
MW415.53 g/mol
LogP3.61
Rot. Bonds8

About (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide

(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide (PubChem CID 5480787) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide
PubChem CID5480787
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide
SMILESO=C(NC1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)Cc1ccccc1
InChIInChI=1S/C27H29NO3/c29-23(16-20-11-5-2-6-12-20)17-22(15-19-9-3-1-4-10-19)27(31)28-26-24-14-8-7-13-21(24)18-25(26)30/h1-14,22-23,25-26,29-30H,15-18H2,(H,28,31)/t22-,23-,25-,26?/m1/s1
InChIKeySZISKWJASZOXHF-RFQYHVMASA-N
XLogP3.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide?
The IUPAC name of (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide (CID 5480787) is (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide.
What is the SMILES notation for (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide?
The canonical SMILES for (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide is O=C(NC1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide?
The InChIKey is SZISKWJASZOXHF-RFQYHVMASA-N. The full InChI is InChI=1S/C27H29NO3/c29-23(16-20-11-5-2-6-12-20)17-22(15-19-9-3-1-4-10-19)27(31)28-26-24-14-8-7-13-21(24)18-25(26)30/h1-14,22-23,25-26,29-30H,15-18H2,(H,28,31)/t22-,23-,25-,26?/m1/s1.
What are the key properties of (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide?
(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide has a molecular weight of 415.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide is sourced from PubChem (CID 5480787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).