N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide

C13H27NO3 — CID 114263827

IUPACN-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide
SMILESCCN(CCOCCO)C(=O)CCC(C)(C)C
InChIInChI=1S/C13H27NO3/c1-5-14(8-10-17-11-9-15)12(16)6-7-13(2,3)4/h15H,5-11H2,1-4H3
InChIKeyGLYCJRNREWCSTP-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.67
Rot. Bonds8

About N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide

N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide (PubChem CID 114263827) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide
PubChem CID114263827
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide
SMILESCCN(CCOCCO)C(=O)CCC(C)(C)C
InChIInChI=1S/C13H27NO3/c1-5-14(8-10-17-11-9-15)12(16)6-7-13(2,3)4/h15H,5-11H2,1-4H3
InChIKeyGLYCJRNREWCSTP-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 114263756
N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493
N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane
CID 176933448
4-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-4-oxobutanoic acid
CID 3642366
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid
CID 4648464
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 175415443
4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide (CID 114263827) is N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide is CCN(CCOCCO)C(=O)CCC(C)(C)C.
What is the InChIKey of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide?
The InChIKey is GLYCJRNREWCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-14(8-10-17-11-9-15)12(16)6-7-13(2,3)4/h15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide?
N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide has a molecular weight of 245.36 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 114263827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).