N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide

C18H32N2O4 — CID 141089668

IUPACN,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
SMILESO=C(NC1CCCCCC1)C(O)C(O)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H32N2O4/c21-15(17(23)19-13-9-5-1-2-6-10-13)16(22)18(24)20-14-11-7-3-4-8-12-14/h13-16,21-22H,1-12H2,(H,19,23)(H,20,24)
InChIKeyBUVPJHBUVPMDQG-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.39
Rot. Bonds5

About N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide

N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide (PubChem CID 141089668) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide.

Molecular Properties

Compound NameN,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
PubChem CID141089668
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
SMILESO=C(NC1CCCCCC1)C(O)C(O)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H32N2O4/c21-15(17(23)19-13-9-5-1-2-6-10-13)16(22)18(24)20-14-11-7-3-4-8-12-14/h13-16,21-22H,1-12H2,(H,19,23)(H,20,24)
InChIKeyBUVPJHBUVPMDQG-UHFFFAOYSA-N
XLogP1.39
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
2-amino-N-cyclohexyl-2-sulfanylacetamide
CID 87171089
(2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
CID 11482797
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
N-cyclohexyl-2-silylpropanamide
CID 123581134
2-chloro-N-cyclohexyl-2-cyclopentylacetamide
CID 62224252
1-cyclobutyl-3-cyclohexylurea
CID 17217147
(E)-N-cyclohexyl-2-hydroxypent-3-enamide
CID 130015263
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335

Frequently Asked Questions

What is the IUPAC name of N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide?
The IUPAC name of N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide (CID 141089668) is N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide.
What is the SMILES notation for N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide?
The canonical SMILES for N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide is O=C(NC1CCCCCC1)C(O)C(O)C(=O)NC1CCCCCC1.
What is the InChIKey of N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide?
The InChIKey is BUVPJHBUVPMDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c21-15(17(23)19-13-9-5-1-2-6-10-13)16(22)18(24)20-14-11-7-3-4-8-12-14/h13-16,21-22H,1-12H2,(H,19,23)(H,20,24).
What are the key properties of N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide?
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide has a molecular weight of 340.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide is sourced from PubChem (CID 141089668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).