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

C30H32N2O4 — CID 90154704

IUPACN-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1
InChIInChI=1S/C30H32N2O4/c1-2-20-12-14-22(15-13-20)29(35)31-19-25(33)17-24(16-21-8-4-3-5-9-21)30(36)32-28-26-11-7-6-10-23(26)18-27(28)34/h2-15,24-25,27-28,33-34H,1,16-19H2,(H,31,35)(H,32,36)/t24-,25+,27-,28+/m1/s1
InChIKeyBOQQBTIZFWRGGE-PSXRRJEGSA-N
MW484.60 g/mol
LogP3.44
Rot. Bonds10

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

N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide (PubChem CID 90154704) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide
PubChem CID90154704
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC NameN-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1
InChIInChI=1S/C30H32N2O4/c1-2-20-12-14-22(15-13-20)29(35)31-19-25(33)17-24(16-21-8-4-3-5-9-21)30(36)32-28-26-11-7-6-10-23(26)18-27(28)34/h2-15,24-25,27-28,33-34H,1,16-19H2,(H,31,35)(H,32,36)/t24-,25+,27-,28+/m1/s1
InChIKeyBOQQBTIZFWRGGE-PSXRRJEGSA-N
XLogP3.44
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide?
The IUPAC name of N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide (CID 90154704) is N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide.
What is the SMILES notation for N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide?
The canonical SMILES for N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide is C=Cc1ccc(C(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1.
What is the InChIKey of N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide?
The InChIKey is BOQQBTIZFWRGGE-PSXRRJEGSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-2-20-12-14-22(15-13-20)29(35)31-19-25(33)17-24(16-21-8-4-3-5-9-21)30(36)32-28-26-11-7-6-10-23(26)18-27(28)34/h2-15,24-25,27-28,33-34H,1,16-19H2,(H,31,35)(H,32,36)/t24-,25+,27-,28+/m1/s1.
What are the key properties of N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide?
N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide has a molecular weight of 484.60 g/mol, XLogP of 3.44, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide is sourced from PubChem (CID 90154704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).