N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide

C12H25NO2 — CID 114875415

IUPACN-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(O)(CC)CC
InChIInChI=1S/C12H25NO2/c1-5-10(4)8-11(14)13-9-12(15,6-2)7-3/h10,15H,5-9H2,1-4H3,(H,13,14)
InChIKeySWUNJCRCNXEVQV-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide

N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide (PubChem CID 114875415) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
PubChem CID114875415
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(O)(CC)CC
InChIInChI=1S/C12H25NO2/c1-5-10(4)8-11(14)13-9-12(15,6-2)7-3/h10,15H,5-9H2,1-4H3,(H,13,14)
InChIKeySWUNJCRCNXEVQV-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide
CID 106254168
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 109379728
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
CID 65108474

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide (CID 114875415) is N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide is CCC(C)CC(=O)NCC(O)(CC)CC.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide?
The InChIKey is SWUNJCRCNXEVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-10(4)8-11(14)13-9-12(15,6-2)7-3/h10,15H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide?
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide is sourced from PubChem (CID 114875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).