N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide

C14H29NO2 — CID 130469220

IUPACN-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
SMILESCCC(O)(CC)CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-6-14(17,7-2)10-11-15-12(16)8-9-13(3,4)5/h17H,6-11H2,1-5H3,(H,15,16)
InChIKeyLPUAYRDDWYFYSE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.87
Rot. Bonds7

About N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide

N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide (PubChem CID 130469220) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
PubChem CID130469220
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
SMILESCCC(O)(CC)CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-6-14(17,7-2)10-11-15-12(16)8-9-13(3,4)5/h17H,6-11H2,1-5H3,(H,15,16)
InChIKeyLPUAYRDDWYFYSE-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)butanamide
CID 115580246
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922
N-[2-(tert-butyldisulfanyl)ethyl]-4,4-dimethylpentanamide
CID 88559041
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide (CID 130469220) is N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide is CCC(O)(CC)CCNC(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide?
The InChIKey is LPUAYRDDWYFYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-14(17,7-2)10-11-15-12(16)8-9-13(3,4)5/h17H,6-11H2,1-5H3,(H,15,16).
What are the key properties of N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide?
N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 130469220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).