N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide

C16H31NO5 — CID 163518990

IUPACN-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOCCC(=O)CC(C)(C)C
InChIInChI=1S/C16H31NO5/c1-14(18)17-6-8-21-10-12-22-11-9-20-7-5-15(19)13-16(2,3)4/h5-13H2,1-4H3,(H,17,18)
InChIKeyHVWQEZMFBTWUSW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.57
Rot. Bonds13

About N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 163518990) has the molecular formula C16H31NO5 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
PubChem CID163518990
Molecular FormulaC16H31NO5
Molecular Weight317.43 g/mol
Exact Mass317.22
IUPAC NameN-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOCCC(=O)CC(C)(C)C
InChIInChI=1S/C16H31NO5/c1-14(18)17-6-8-21-10-12-22-11-9-20-7-5-15(19)13-16(2,3)4/h5-13H2,1-4H3,(H,17,18)
InChIKeyHVWQEZMFBTWUSW-UHFFFAOYSA-N
XLogP1.57
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-5,5-dimethylhexan-3-one
CID 176880291
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 167096270
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
1-[2-(dimethylamino)ethoxy]-5,5-dimethylhexan-3-one
CID 58409031
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
CID 164592894

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide (CID 163518990) is N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCOCCC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is HVWQEZMFBTWUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO5/c1-14(18)17-6-8-21-10-12-22-11-9-20-7-5-15(19)13-16(2,3)4/h5-13H2,1-4H3,(H,17,18).
What are the key properties of N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.57, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 163518990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).