N-[(2S)-2-hydroxyheptyl]acetamide

C9H19NO2 — CID 11686981

IUPACN-[(2S)-2-hydroxyheptyl]acetamide
SMILESCCCCC[C@H](O)CNC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-9(12)7-10-8(2)11/h9,12H,3-7H2,1-2H3,(H,10,11)/t9-/m0/s1
InChIKeyZMWUAPGCNREYIT-VIFPVBQESA-N
MW173.26 g/mol
LogP1.06
Rot. Bonds6

About N-[(2S)-2-hydroxyheptyl]acetamide

N-[(2S)-2-hydroxyheptyl]acetamide (PubChem CID 11686981) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2S)-2-hydroxyheptyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxyheptyl]acetamide
PubChem CID11686981
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(2S)-2-hydroxyheptyl]acetamide
SMILESCCCCC[C@H](O)CNC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-9(12)7-10-8(2)11/h9,12H,3-7H2,1-2H3,(H,10,11)/t9-/m0/s1
InChIKeyZMWUAPGCNREYIT-VIFPVBQESA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-hydroxyheptyl]acetamide 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

N-(2,6-dihydroxyhexyl)acetamide
CID 19031150
N-(2-bromoheptyl)acetamide
CID 174351305
N-(2-bromododecyl)acetamide
CID 87944717
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
N-(2-hydroxyoctadecyl)-17-oxooctatriacont-29-enamide
CID 54094491
N-[(2S)-2-hydroxyoctadecyl]-31-oxodopentacont-43-enamide
CID 57306980
1-(methylamino)tetradecan-2-ol
CID 18332301
N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide
CID 167271048
1-(ethylamino)octan-2-ol
CID 62774096
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxyheptyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxyheptyl]acetamide (CID 11686981) is N-[(2S)-2-hydroxyheptyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxyheptyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxyheptyl]acetamide is CCCCC[C@H](O)CNC(C)=O.
What is the InChIKey of N-[(2S)-2-hydroxyheptyl]acetamide?
The InChIKey is ZMWUAPGCNREYIT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-9(12)7-10-8(2)11/h9,12H,3-7H2,1-2H3,(H,10,11)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxyheptyl]acetamide?
N-[(2S)-2-hydroxyheptyl]acetamide has a molecular weight of 173.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxyheptyl]acetamide is sourced from PubChem (CID 11686981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).