N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide

C9H19NO4 — CID 174002662

IUPACN-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide
SMILESCC(=O)NC[C@H](O)OC(C)CC(C)O
InChIInChI=1S/C9H19NO4/c1-6(11)4-7(2)14-9(13)5-10-8(3)12/h6-7,9,11,13H,4-5H2,1-3H3,(H,10,12)/t6?,7?,9-/m1/s1
InChIKeyJVWSESUEHFNQHA-QXUHLLMWSA-N
MW205.25 g/mol
LogP-0.38
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide

N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide (PubChem CID 174002662) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide
PubChem CID174002662
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide
SMILESCC(=O)NC[C@H](O)OC(C)CC(C)O
InChIInChI=1S/C9H19NO4/c1-6(11)4-7(2)14-9(13)5-10-8(3)12/h6-7,9,11,13H,4-5H2,1-3H3,(H,10,12)/t6?,7?,9-/m1/s1
InChIKeyJVWSESUEHFNQHA-QXUHLLMWSA-N
XLogP-0.38
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
CID 131855497
N-(2-methoxypropyl)acetamide
CID 90876780
N-[2-(1-methoxyethoxy)propyl]acetamide
CID 143226196
4-hydroxy-5-(4-hydroxypentan-2-yloxy)hexan-2-one
CID 59939295
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
methyl N-(3-acetamido-2-hydroxypropyl)carbamate
CID 23527594
ethane;N-(2-methylpropyl)acetamide
CID 142232237
4-hydroxypentan-2-yl acetate;methane
CID 161366769
N-(2-amino-2-sulfanylethyl)acetamide
CID 175821750
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide (CID 174002662) is N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide is CC(=O)NC[C@H](O)OC(C)CC(C)O.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide?
The InChIKey is JVWSESUEHFNQHA-QXUHLLMWSA-N. The full InChI is InChI=1S/C9H19NO4/c1-6(11)4-7(2)14-9(13)5-10-8(3)12/h6-7,9,11,13H,4-5H2,1-3H3,(H,10,12)/t6?,7?,9-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide?
N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide has a molecular weight of 205.25 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide is sourced from PubChem (CID 174002662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).