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

C17H26N2O3 — CID 110309527

IUPACN-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCCNC(C)=O)cc1
InChIInChI=1S/C17H26N2O3/c1-14(20)18-12-5-13-19-17(21)7-4-3-6-15-8-10-16(22-2)11-9-15/h8-11H,3-7,12-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVFSULSDQUCPZFQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.05
Rot. Bonds10

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

N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide (PubChem CID 110309527) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
PubChem CID110309527
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCCNC(C)=O)cc1
InChIInChI=1S/C17H26N2O3/c1-14(20)18-12-5-13-19-17(21)7-4-3-6-15-8-10-16(22-2)11-9-15/h8-11H,3-7,12-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVFSULSDQUCPZFQ-UHFFFAOYSA-N
XLogP2.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
CID 110306347
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide (CID 110309527) is N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide is COc1ccc(CCCCC(=O)NCCCNC(C)=O)cc1.
What is the InChIKey of N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide?
The InChIKey is VFSULSDQUCPZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14(20)18-12-5-13-19-17(21)7-4-3-6-15-8-10-16(22-2)11-9-15/h8-11H,3-7,12-13H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide?
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 110309527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).