N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide

C17H25NO3S — CID 60542148

IUPACN-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
SMILESCCCOc1ccc(OCCSC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C17H25NO3S/c1-3-10-20-15-6-8-16(9-7-15)21-11-12-22-13(2)17(19)18-14-4-5-14/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyDWVKEFGQUAYCST-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.25
Rot. Bonds10

About N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide

N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide (PubChem CID 60542148) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
PubChem CID60542148
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
SMILESCCCOc1ccc(OCCSC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C17H25NO3S/c1-3-10-20-15-6-8-16(9-7-15)21-11-12-22-13(2)17(19)18-14-4-5-14/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyDWVKEFGQUAYCST-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 60541932
N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 60541898
N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 43041762
2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542147
N-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanamide
CID 60542182
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
CID 60542050
N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115672820
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113
2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
CID 62496114
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide
CID 110901065
N-cyclohexyl-4-propoxybenzamide
CID 4938429

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide (CID 60542148) is N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide is CCCOc1ccc(OCCSC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The InChIKey is DWVKEFGQUAYCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-3-10-20-15-6-8-16(9-7-15)21-11-12-22-13(2)17(19)18-14-4-5-14/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide has a molecular weight of 323.46 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 60542148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).