N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide

C12H25NO2 — CID 111662419

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
SMILESCC(C)CC(CCO)CNC(=O)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-11(5-6-14)8-13-12(15)10(3)4/h9-11,14H,5-8H2,1-4H3,(H,13,15)
InChIKeySTAVBTXSMYPIOY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.80
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide (PubChem CID 111662419) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
PubChem CID111662419
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
SMILESCC(C)CC(CCO)CNC(=O)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-11(5-6-14)8-13-12(15)10(3)4/h9-11,14H,5-8H2,1-4H3,(H,13,15)
InChIKeySTAVBTXSMYPIOY-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
CID 119817743
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide
CID 167387123
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide (CID 111662419) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide is CC(C)CC(CCO)CNC(=O)C(C)C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide?
The InChIKey is STAVBTXSMYPIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)7-11(5-6-14)8-13-12(15)10(3)4/h9-11,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide is sourced from PubChem (CID 111662419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).