(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide

C9H18N2O4 — CID 87632154

IUPAC(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide
SMILESCN(C)C(=O)C[C@H](O)C[C@@H](O)CC(N)=O
InChIInChI=1S/C9H18N2O4/c1-11(2)9(15)5-7(13)3-6(12)4-8(10)14/h6-7,12-13H,3-5H2,1-2H3,(H2,10,14)/t6-,7-/m1/s1
InChIKeyALXPATULIQOHMR-RNFRBKRXSA-N
MW218.25 g/mol
LogP-1.55
Rot. Bonds6

About (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide

(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide (PubChem CID 87632154) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide.

Molecular Properties

Compound Name(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide
PubChem CID87632154
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide
SMILESCN(C)C(=O)C[C@H](O)C[C@@H](O)CC(N)=O
InChIInChI=1S/C9H18N2O4/c1-11(2)9(15)5-7(13)3-6(12)4-8(10)14/h6-7,12-13H,3-5H2,1-2H3,(H2,10,14)/t6-,7-/m1/s1
InChIKeyALXPATULIQOHMR-RNFRBKRXSA-N
XLogP-1.55
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
5-ethyl-3-hydroxy-N,N-dimethylnonanamide
CID 175454513
3-hydroxypentanamide;hydrochloride
CID 174591125
(3S)-4-amino-3-hydroxybutanamide
CID 12536775
(3R,5R)-3,5-dihydroxy-7-(4-methylpiperazin-1-yl)-7-oxoheptanamide
CID 68946947
(4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium hydroxide
CID 15630699
(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197450
(2S)-N,N,2-trimethylbutanediamide
CID 89208905
4-amino-N,N,3-trimethylpentanamide
CID 102537836
(3S)-4-amino-3-hydroxybutanamide;(3R)-3-hydroxypentanamide
CID 161102604
3,5-dihydroxypentanamide
CID 90721259
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide?
The IUPAC name of (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide (CID 87632154) is (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide.
What is the SMILES notation for (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide?
The canonical SMILES for (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide is CN(C)C(=O)C[C@H](O)C[C@@H](O)CC(N)=O.
What is the InChIKey of (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide?
The InChIKey is ALXPATULIQOHMR-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-11(2)9(15)5-7(13)3-6(12)4-8(10)14/h6-7,12-13H,3-5H2,1-2H3,(H2,10,14)/t6-,7-/m1/s1.
What are the key properties of (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide?
(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide has a molecular weight of 218.25 g/mol, XLogP of -1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide is sourced from PubChem (CID 87632154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).