N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide

C18H25Cl2NO2 — CID 100608367

IUPACN-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCCCOC1CCCCC1
InChIInChI=1S/C18H25Cl2NO2/c19-15-9-7-14(17(20)13-15)8-10-18(22)21-11-4-12-23-16-5-2-1-3-6-16/h7,9,13,16H,1-6,8,10-12H2,(H,21,22)
InChIKeyATPHASRYTKETAI-UHFFFAOYSA-N
MW358.31 g/mol
LogP4.78
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide

N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 100608367) has the molecular formula C18H25Cl2NO2 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID100608367
Molecular FormulaC18H25Cl2NO2
Molecular Weight358.31 g/mol
Exact Mass357.13
IUPAC NameN-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCCCOC1CCCCC1
InChIInChI=1S/C18H25Cl2NO2/c19-15-9-7-14(17(20)13-15)8-10-18(22)21-11-4-12-23-16-5-2-1-3-6-16/h7,9,13,16H,1-6,8,10-12H2,(H,21,22)
InChIKeyATPHASRYTKETAI-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333
4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134030077

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide (CID 100608367) is N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1Cl)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is ATPHASRYTKETAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2NO2/c19-15-9-7-14(17(20)13-15)8-10-18(22)21-11-4-12-23-16-5-2-1-3-6-16/h7,9,13,16H,1-6,8,10-12H2,(H,21,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide?
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 358.31 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 100608367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).