N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide

C12H25NO3 — CID 63832411

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCOCCO)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-10(12(2,3)4)9-11(15)13-5-7-16-8-6-14/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyZWNZZFQXIIQJCI-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.18
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide

N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide (PubChem CID 63832411) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide
PubChem CID63832411
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCOCCO)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-10(12(2,3)4)9-11(15)13-5-7-16-8-6-14/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyZWNZZFQXIIQJCI-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide
CID 82993574
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-(2-methylpropylamino)-4-oxopentanamide
CID 174287270
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
N'-[2-(2-hydroxyethoxy)ethyl]-N-(1-hydroxy-3-methylbutan-2-yl)-2-prop-2-enylbutanediamide
CID 4074038
N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
3,4,4-trimethyl-N-(2-piperidin-4-yloxyethyl)pentanamide
CID 55251825
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide
CID 63832503

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide (CID 63832411) is N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide is CC(CC(=O)NCCOCCO)C(C)(C)C.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide?
The InChIKey is ZWNZZFQXIIQJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(12(2,3)4)9-11(15)13-5-7-16-8-6-14/h10,14H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide?
N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide has a molecular weight of 231.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63832411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).