5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide

C11H22ClNO2 — CID 65105586

IUPAC5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
SMILESCCC(O)(CC)CNC(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2/c1-3-11(15,4-2)9-13-10(14)7-5-6-8-12/h15H,3-9H2,1-2H3,(H,13,14)
InChIKeyGSHVVNOJARGOPC-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.06
Rot. Bonds8

About 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide

5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide (PubChem CID 65105586) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
PubChem CID65105586
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
SMILESCCC(O)(CC)CNC(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2/c1-3-11(15,4-2)9-13-10(14)7-5-6-8-12/h15H,3-9H2,1-2H3,(H,13,14)
InChIKeyGSHVVNOJARGOPC-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 65106740
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 79039842
N-butyl-5-chloropentanamide
CID 28733165
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
CID 111463301
5-chloro-N-nonylpentanamide
CID 91692760
N-(5-chloropentyl)dodecanamide
CID 107321143
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
CID 62519658
N-(3-chloropropyl)dodecanamide
CID 17164369
5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide (CID 65105586) is 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide is CCC(O)(CC)CNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide?
The InChIKey is GSHVVNOJARGOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-3-11(15,4-2)9-13-10(14)7-5-6-8-12/h15H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide?
5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide has a molecular weight of 235.75 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide is sourced from PubChem (CID 65105586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).