5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide

C11H22ClNO2 — CID 86044771

IUPAC5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide
SMILESCC(C)N(C(=O)CCC(O)CCl)C(C)C
InChIInChI=1S/C11H22ClNO2/c1-8(2)13(9(3)4)11(15)6-5-10(14)7-12/h8-10,14H,5-7H2,1-4H3
InChIKeyLGOGKCXNCAIOAJ-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.01
Rot. Bonds6

About 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide

5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide (PubChem CID 86044771) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide
PubChem CID86044771
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide
SMILESCC(C)N(C(=O)CCC(O)CCl)C(C)C
InChIInChI=1S/C11H22ClNO2/c1-8(2)13(9(3)4)11(15)6-5-10(14)7-12/h8-10,14H,5-7H2,1-4H3
InChIKeyLGOGKCXNCAIOAJ-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diisopropyl-4-hydroxypentanamide
CID 11206451
[1-Chloro-5-[di(propan-2-yl)amino]-5-oxopentan-2-yl] acetate
CID 72974583
ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide
CID 123902695
[(2S)-1-chloro-5-[di(propan-2-yl)amino]-5-oxopentan-2-yl] acetate
CID 11471429
5-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpentanamide
CID 43578919
5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039671
5-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylpentanamide
CID 61584645
5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide
CID 62333921
5-chloro-N-[(3-hydroxycyclobutyl)methyl]-N-methylpentanamide
CID 65982930
4-hydroxy-N-pentyl-N-propan-2-ylpentanamide
CID 79200125
N-butan-2-yl-N-butyl-4-hydroxypentanamide
CID 79201397
4-hydroxy-N-methyl-N-pentan-3-ylpentanamide
CID 79201477

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide?
The IUPAC name of 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide (CID 86044771) is 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide is CC(C)N(C(=O)CCC(O)CCl)C(C)C.
What is the InChIKey of 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide?
The InChIKey is LGOGKCXNCAIOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-8(2)13(9(3)4)11(15)6-5-10(14)7-12/h8-10,14H,5-7H2,1-4H3.
What are the key properties of 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide?
5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide has a molecular weight of 235.75 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-N,N-di(propan-2-yl)pentanamide is sourced from PubChem (CID 86044771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).