N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide

C34H36N2O4 — CID 57055872

IUPACN,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide
SMILESO=C(C(O)CCC(O)C(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H36N2O4/c37-31(33(39)35(23-27-13-5-1-6-14-27)24-28-15-7-2-8-16-28)21-22-32(38)34(40)36(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20,31-32,37-38H,21-26H2
InChIKeyZJLBBSNDCRVXLC-UHFFFAOYSA-N
MW536.67 g/mol
LogP4.95
Rot. Bonds13

About N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide

N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide (PubChem CID 57055872) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide
PubChem CID57055872
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC NameN,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide
SMILESO=C(C(O)CCC(O)C(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H36N2O4/c37-31(33(39)35(23-27-13-5-1-6-14-27)24-28-15-7-2-8-16-28)21-22-32(38)34(40)36(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20,31-32,37-38H,21-26H2
InChIKeyZJLBBSNDCRVXLC-UHFFFAOYSA-N
XLogP4.95
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.67
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-N,N-dibenzyl-2-hydroxy-3-phenylpropanamide
CID 67829901
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
(2R)-N,N-dibenzyl-5-hydroxy-2-methylpentanamide
CID 155444836
(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide
CID 138982111
2-amino-3-[[(2S)-2-amino-3-(dibenzylamino)-3-oxopropyl]disulfanyl]-N,N-dibenzylpropanamide
CID 87772747
2-amino-5-(dibenzylamino)-5-oxopentanoic acid
CID 69304908
N,N-diethyl-2-hydroxy-3-phenylpropanamide
CID 102481935
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
N,N-dibenzyl-2-bromo-4,4-dimethyl-3-oxopentanamide
CID 13154497
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide?
The IUPAC name of N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide (CID 57055872) is N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide.
What is the SMILES notation for N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide?
The canonical SMILES for N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide is O=C(C(O)CCC(O)C(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide?
The InChIKey is ZJLBBSNDCRVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c37-31(33(39)35(23-27-13-5-1-6-14-27)24-28-15-7-2-8-16-28)21-22-32(38)34(40)36(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20,31-32,37-38H,21-26H2.
What are the key properties of N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide?
N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide has a molecular weight of 536.67 g/mol, XLogP of 4.95, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide is sourced from PubChem (CID 57055872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).