(3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide

C11H21NO2 — CID 11412975

IUPAC(3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide
SMILESC=CC[C@H](O)C[C@@H](C)CC(=O)N(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)7-9(2)8-11(14)12(3)4/h5,9-10,13H,1,6-8H2,2-4H3/t9-,10+/m1/s1
InChIKeyVXQYOIPFIVZQTD-ZJUUUORDSA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds6

About (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide

(3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide (PubChem CID 11412975) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide.

Molecular Properties

Compound Name(3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide
PubChem CID11412975
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide
SMILESC=CC[C@H](O)C[C@@H](C)CC(=O)N(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)7-9(2)8-11(14)12(3)4/h5,9-10,13H,1,6-8H2,2-4H3/t9-,10+/m1/s1
InChIKeyVXQYOIPFIVZQTD-ZJUUUORDSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide 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

(1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide
CID 59193708
(4R,5S,6S)-5-hydroxy-N,N,2,2,4,6-hexamethyl-3-oxonon-8-enamide
CID 60066559
4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide
CID 91575072
N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
CID 141167486
trans-(1S,3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
CID 144017375
(3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
CID 145162314
3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide
CID 56957285

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide?
The IUPAC name of (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide (CID 11412975) is (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide.
What is the SMILES notation for (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide?
The canonical SMILES for (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide is C=CC[C@H](O)C[C@@H](C)CC(=O)N(C)C.
What is the InChIKey of (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide?
The InChIKey is VXQYOIPFIVZQTD-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-10(13)7-9(2)8-11(14)12(3)4/h5,9-10,13H,1,6-8H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide?
(3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide is sourced from PubChem (CID 11412975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).