5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide

C16H24ClNO2 — CID 43696732

IUPAC5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCCCCl)cc1
InChIInChI=1S/C16H24ClNO2/c1-12(2)20-15-9-7-14(8-10-15)13(3)18-16(19)6-4-5-11-17/h7-10,12-13H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyXQNASQBVGWSRDW-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.06
Rot. Bonds8

About 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide

5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide (PubChem CID 43696732) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
PubChem CID43696732
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCCCCl)cc1
InChIInChI=1S/C16H24ClNO2/c1-12(2)20-15-9-7-14(8-10-15)13(3)18-16(19)6-4-5-11-17/h7-10,12-13H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyXQNASQBVGWSRDW-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.06
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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Related Compounds

4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 78867601
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
CID 18839396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The IUPAC name of 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide (CID 43696732) is 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide is CC(C)Oc1ccc(C(C)NC(=O)CCCCCl)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
The InChIKey is XQNASQBVGWSRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12(2)20-15-9-7-14(8-10-15)13(3)18-16(19)6-4-5-11-17/h7-10,12-13H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide?
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide has a molecular weight of 297.83 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 43696732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).