(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide

C20H40N2O4 — CID 162405033

IUPAC(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide
SMILESCC(C)N(C(=O)C[C@H](O)CC[C@@H](O)CC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C20H40N2O4/c1-13(2)21(14(3)4)19(25)11-17(23)9-10-18(24)12-20(26)22(15(5)6)16(7)8/h13-18,23-24H,9-12H2,1-8H3/t17-,18-/m1/s1
InChIKeyZMWHAQCTMSJUFP-QZTJIDSGSA-N
MW372.55 g/mol
LogP2.56
Rot. Bonds11

About (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide

(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide (PubChem CID 162405033) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide.

Molecular Properties

Compound Name(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide
PubChem CID162405033
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Name(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide
SMILESCC(C)N(C(=O)C[C@H](O)CC[C@@H](O)CC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C20H40N2O4/c1-13(2)21(14(3)4)19(25)11-17(23)9-10-18(24)12-20(26)22(15(5)6)16(7)8/h13-18,23-24H,9-12H2,1-8H3/t17-,18-/m1/s1
InChIKeyZMWHAQCTMSJUFP-QZTJIDSGSA-N
XLogP2.56
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide?
The IUPAC name of (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide (CID 162405033) is (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide.
What is the SMILES notation for (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide?
The canonical SMILES for (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide is CC(C)N(C(=O)C[C@H](O)CC[C@@H](O)CC(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide?
The InChIKey is ZMWHAQCTMSJUFP-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-13(2)21(14(3)4)19(25)11-17(23)9-10-18(24)12-20(26)22(15(5)6)16(7)8/h13-18,23-24H,9-12H2,1-8H3/t17-,18-/m1/s1.
What are the key properties of (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide?
(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide has a molecular weight of 372.55 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide is sourced from PubChem (CID 162405033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).