5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide

C11H22ClNO2 — CID 61039671

IUPAC5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
SMILESCC(C)N(CCCO)C(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2/c1-10(2)13(8-5-9-14)11(15)6-3-4-7-12/h10,14H,3-9H2,1-2H3
InChIKeyXFDXAIQBUYJXFD-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.01
Rot. Bonds8

About 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide

5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide (PubChem CID 61039671) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
PubChem CID61039671
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
SMILESCC(C)N(CCCO)C(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2/c1-10(2)13(8-5-9-14)11(15)6-3-4-7-12/h10,14H,3-9H2,1-2H3
InChIKeyXFDXAIQBUYJXFD-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide?
The IUPAC name of 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide (CID 61039671) is 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide?
The canonical SMILES for 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide is CC(C)N(CCCO)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide?
The InChIKey is XFDXAIQBUYJXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-10(2)13(8-5-9-14)11(15)6-3-4-7-12/h10,14H,3-9H2,1-2H3.
What are the key properties of 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide?
5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide has a molecular weight of 235.75 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpentanamide is sourced from PubChem (CID 61039671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).