(2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide

C16H28N2O4 — CID 91261250

IUPAC(2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide
SMILESNC(=O)[C@H](O)[C@@H](O)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O4/c17-15(21)13(19)14(20)16(22)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-14,19-20H,1-10H2,(H2,17,21)/t13-,14-/m1/s1
InChIKeyYISJUUMPIBBTKI-ZIAGYGMSSA-N
MW312.41 g/mol
LogP0.69
Rot. Bonds5

About (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide

(2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide (PubChem CID 91261250) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide
PubChem CID91261250
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name(2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide
SMILESNC(=O)[C@H](O)[C@@H](O)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O4/c17-15(21)13(19)14(20)16(22)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-14,19-20H,1-10H2,(H2,17,21)/t13-,14-/m1/s1
InChIKeyYISJUUMPIBBTKI-ZIAGYGMSSA-N
XLogP0.69
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5R)-N,N-dicyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
CID 98565543
N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 71672505
(2S)-2-amino-N,N-dicyclohexylpentanamide
CID 107568011
N,N-dicyclohexyl-2-(methylamino)propanamide
CID 62639646
CID 87476940
CID 87476940
(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
CID 104906791
N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride
CID 173136057
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
1,1-dicyclohexyl-3-cyclopropylurea
CID 116653816
2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide
CID 57320536
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
1-amino-N,N-dicyclohexylcyclopropane-1-carboxamide
CID 65465472

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide?
The IUPAC name of (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide (CID 91261250) is (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide.
What is the SMILES notation for (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide?
The canonical SMILES for (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide is NC(=O)[C@H](O)[C@@H](O)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide?
The InChIKey is YISJUUMPIBBTKI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H28N2O4/c17-15(21)13(19)14(20)16(22)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-14,19-20H,1-10H2,(H2,17,21)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide?
(2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide has a molecular weight of 312.41 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N',N'-dicyclohexyl-2,3-dihydroxybutanediamide is sourced from PubChem (CID 91261250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).