N-(3-ethyl-2-pentoxyphenyl)butanamide

C17H27NO2 — CID 71107194

IUPACN-(3-ethyl-2-pentoxyphenyl)butanamide
SMILESCCCCCOc1c(CC)cccc1NC(=O)CCC
InChIInChI=1S/C17H27NO2/c1-4-7-8-13-20-17-14(6-3)11-9-12-15(17)18-16(19)10-5-2/h9,11-12H,4-8,10,13H2,1-3H3,(H,18,19)
InChIKeyFSOSXOMOLHOWTF-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.56
Rot. Bonds9

About N-(3-ethyl-2-pentoxyphenyl)butanamide

N-(3-ethyl-2-pentoxyphenyl)butanamide (PubChem CID 71107194) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-ethyl-2-pentoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-pentoxyphenyl)butanamide
PubChem CID71107194
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(3-ethyl-2-pentoxyphenyl)butanamide
SMILESCCCCCOc1c(CC)cccc1NC(=O)CCC
InChIInChI=1S/C17H27NO2/c1-4-7-8-13-20-17-14(6-3)11-9-12-15(17)18-16(19)10-5-2/h9,11-12H,4-8,10,13H2,1-3H3,(H,18,19)
InChIKeyFSOSXOMOLHOWTF-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.56
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-(2-butoxy-3-propylphenyl)propanamide
CID 142121907
N-(2-butyl-3-ethylphenyl)butanamide
CID 71106739
N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide
CID 18735697
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-naphthalen-1-yldodecanamide
CID 588517
2-butoxy-3-ethylphenol
CID 67732111
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
CID 174953197
CID 174953197
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(4-decoxyphenyl)butanamide
CID 143303175

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-pentoxyphenyl)butanamide?
The IUPAC name of N-(3-ethyl-2-pentoxyphenyl)butanamide (CID 71107194) is N-(3-ethyl-2-pentoxyphenyl)butanamide.
What is the SMILES notation for N-(3-ethyl-2-pentoxyphenyl)butanamide?
The canonical SMILES for N-(3-ethyl-2-pentoxyphenyl)butanamide is CCCCCOc1c(CC)cccc1NC(=O)CCC.
What is the InChIKey of N-(3-ethyl-2-pentoxyphenyl)butanamide?
The InChIKey is FSOSXOMOLHOWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-7-8-13-20-17-14(6-3)11-9-12-15(17)18-16(19)10-5-2/h9,11-12H,4-8,10,13H2,1-3H3,(H,18,19).
What are the key properties of N-(3-ethyl-2-pentoxyphenyl)butanamide?
N-(3-ethyl-2-pentoxyphenyl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-pentoxyphenyl)butanamide is sourced from PubChem (CID 71107194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).