(2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide

C35H38N2O3 — CID 5482935

IUPAC(2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C35H38N2O3/c38-33(23-31(21-27-13-5-1-6-14-27)34(39)36-25-29-17-9-3-10-18-29)24-32(22-28-15-7-2-8-16-28)35(40)37-26-30-19-11-4-12-20-30/h1-20,31-33,38H,21-26H2,(H,36,39)(H,37,40)/t31-,32?,33?/m1/s1
InChIKeyKFUSNRPYJLVADX-PRVZDSGASA-N
MW534.70 g/mol
LogP5.48
Rot. Bonds14

About (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide

(2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide (PubChem CID 5482935) has the molecular formula C35H38N2O3 and a molecular weight of 534.70 g/mol. Its IUPAC name is (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide.

Molecular Properties

Compound Name(2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide
PubChem CID5482935
Molecular FormulaC35H38N2O3
Molecular Weight534.70 g/mol
Exact Mass534.29
IUPAC Name(2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C35H38N2O3/c38-33(23-31(21-27-13-5-1-6-14-27)34(39)36-25-29-17-9-3-10-18-29)24-32(22-28-15-7-2-8-16-28)35(40)37-26-30-19-11-4-12-20-30/h1-20,31-33,38H,21-26H2,(H,36,39)(H,37,40)/t31-,32?,33?/m1/s1
InChIKeyKFUSNRPYJLVADX-PRVZDSGASA-N
XLogP5.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide?
The IUPAC name of (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide (CID 5482935) is (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide.
What is the SMILES notation for (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide?
The canonical SMILES for (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide is O=C(NCc1ccccc1)C(Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide?
The InChIKey is KFUSNRPYJLVADX-PRVZDSGASA-N. The full InChI is InChI=1S/C35H38N2O3/c38-33(23-31(21-27-13-5-1-6-14-27)34(39)36-25-29-17-9-3-10-18-29)24-32(22-28-15-7-2-8-16-28)35(40)37-26-30-19-11-4-12-20-30/h1-20,31-33,38H,21-26H2,(H,36,39)(H,37,40)/t31-,32?,33?/m1/s1.
What are the key properties of (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide?
(2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide has a molecular weight of 534.70 g/mol, XLogP of 5.48, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N,N',2,6-tetrabenzyl-4-hydroxyheptanediamide is sourced from PubChem (CID 5482935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).