5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide

C17H27NO2 — CID 110297852

IUPAC5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-14(2)12-13-18-17(19)7-5-4-6-15-8-10-16(20-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,18,19)
InChIKeyIIDMDZFUGYVTEE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.57
Rot. Bonds9

About 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide

5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide (PubChem CID 110297852) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
PubChem CID110297852
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-14(2)12-13-18-17(19)7-5-4-6-15-8-10-16(20-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,18,19)
InChIKeyIIDMDZFUGYVTEE-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
CID 110307825
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide (CID 110297852) is 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide is COc1ccc(CCCCC(=O)NCCC(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide?
The InChIKey is IIDMDZFUGYVTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)12-13-18-17(19)7-5-4-6-15-8-10-16(20-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,18,19).
What are the key properties of 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide?
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide has a molecular weight of 277.41 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 110297852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).