N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide

C15H22ClNO2 — CID 107157346

IUPACN-(2-chloro-4-methylpentyl)-3-phenoxypropanamide
SMILESCC(C)CC(Cl)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H22ClNO2/c1-12(2)10-13(16)11-17-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,18)
InChIKeyBKAJYNNNUXTTTH-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.23
Rot. Bonds8

About N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide

N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide (PubChem CID 107157346) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-3-phenoxypropanamide
PubChem CID107157346
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(2-chloro-4-methylpentyl)-3-phenoxypropanamide
SMILESCC(C)CC(Cl)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H22ClNO2/c1-12(2)10-13(16)11-17-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,18)
InChIKeyBKAJYNNNUXTTTH-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.23
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-(4-methyl-2-piperidin-1-ylpentyl)-3-phenoxypropanamide
CID 110403387
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
tert-butyl N-[(2S)-4-methyl-1-(3-phenoxypropanoylamino)pentan-2-yl]carbamate
CID 110288498
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide
CID 107157243

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide (CID 107157346) is N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide is CC(C)CC(Cl)CNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide?
The InChIKey is BKAJYNNNUXTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-12(2)10-13(16)11-17-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide?
N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide has a molecular weight of 283.80 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide is sourced from PubChem (CID 107157346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).