N-(4,4-diethoxybutyl)-2-hydroxyacetamide

C10H21NO4 — CID 89285758

IUPACN-(4,4-diethoxybutyl)-2-hydroxyacetamide
SMILESCCOC(CCCNC(=O)CO)OCC
InChIInChI=1S/C10H21NO4/c1-3-14-10(15-4-2)6-5-7-11-9(13)8-12/h10,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyHDNLOLSFWAIYCR-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.27
Rot. Bonds9

About N-(4,4-diethoxybutyl)-2-hydroxyacetamide

N-(4,4-diethoxybutyl)-2-hydroxyacetamide (PubChem CID 89285758) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4,4-diethoxybutyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(4,4-diethoxybutyl)-2-hydroxyacetamide
PubChem CID89285758
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC NameN-(4,4-diethoxybutyl)-2-hydroxyacetamide
SMILESCCOC(CCCNC(=O)CO)OCC
InChIInChI=1S/C10H21NO4/c1-3-14-10(15-4-2)6-5-7-11-9(13)8-12/h10,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyHDNLOLSFWAIYCR-UHFFFAOYSA-N
XLogP0.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-diethoxybutyl)-4-methylpent-3-enamide
CID 11054326
1-(4,4-diethoxybutyl)-3-ethylurea
CID 10988136
1,3-dihydroxypropan-2-yl N-(4,4-diethoxybutyl)carbamate
CID 140503778
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
2-hydroxy-N-[3-[(2-hydroxyacetyl)amino]propyl]acetamide
CID 142043672
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
3,3-diethoxypropylcarbamic acid
CID 21075732
ethyl 2-(4,4-diethoxybutylamino)acetate
CID 119084301
2-hydroxy-N-[7-[(2-hydroxyacetyl)amino]heptyl]acetamide
CID 119089107
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602

Frequently Asked Questions

What is the IUPAC name of N-(4,4-diethoxybutyl)-2-hydroxyacetamide?
The IUPAC name of N-(4,4-diethoxybutyl)-2-hydroxyacetamide (CID 89285758) is N-(4,4-diethoxybutyl)-2-hydroxyacetamide.
What is the SMILES notation for N-(4,4-diethoxybutyl)-2-hydroxyacetamide?
The canonical SMILES for N-(4,4-diethoxybutyl)-2-hydroxyacetamide is CCOC(CCCNC(=O)CO)OCC.
What is the InChIKey of N-(4,4-diethoxybutyl)-2-hydroxyacetamide?
The InChIKey is HDNLOLSFWAIYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-14-10(15-4-2)6-5-7-11-9(13)8-12/h10,12H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(4,4-diethoxybutyl)-2-hydroxyacetamide?
N-(4,4-diethoxybutyl)-2-hydroxyacetamide has a molecular weight of 219.28 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethoxybutyl)-2-hydroxyacetamide is sourced from PubChem (CID 89285758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).