N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide

C17H23Cl2NO2 — CID 100603333

IUPACN-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCc1c(Cl)cccc1Cl)NCCCOC1CCCC1
InChIInChI=1S/C17H23Cl2NO2/c18-15-7-3-8-16(19)14(15)9-10-17(21)20-11-4-12-22-13-5-1-2-6-13/h3,7-8,13H,1-2,4-6,9-12H2,(H,20,21)
InChIKeyIOBCNXMERCZPDR-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.39
Rot. Bonds8

About N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide

N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide (PubChem CID 100603333) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
PubChem CID100603333
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC NameN-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCc1c(Cl)cccc1Cl)NCCCOC1CCCC1
InChIInChI=1S/C17H23Cl2NO2/c18-15-7-3-8-16(19)14(15)9-10-17(21)20-11-4-12-22-13-5-1-2-6-13/h3,7-8,13H,1-2,4-6,9-12H2,(H,20,21)
InChIKeyIOBCNXMERCZPDR-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.39
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

N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134030077
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 91792907
N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
CID 131949460
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide (CID 100603333) is N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide is O=C(CCc1c(Cl)cccc1Cl)NCCCOC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide?
The InChIKey is IOBCNXMERCZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c18-15-7-3-8-16(19)14(15)9-10-17(21)20-11-4-12-22-13-5-1-2-6-13/h3,7-8,13H,1-2,4-6,9-12H2,(H,20,21).
What are the key properties of N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide?
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide has a molecular weight of 344.28 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 100603333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).