N-formyl-5-(4-methoxyphenyl)pentanamide

C13H17NO3 — CID 164557203

IUPACN-formyl-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NC=O)cc1
InChIInChI=1S/C13H17NO3/c1-17-12-8-6-11(7-9-12)4-2-3-5-13(16)14-10-15/h6-10H,2-5H2,1H3,(H,14,15,16)
InChIKeyDFAFQIXNNPDGFX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.68
Rot. Bonds7

About N-formyl-5-(4-methoxyphenyl)pentanamide

N-formyl-5-(4-methoxyphenyl)pentanamide (PubChem CID 164557203) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-formyl-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-formyl-5-(4-methoxyphenyl)pentanamide
PubChem CID164557203
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-formyl-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NC=O)cc1
InChIInChI=1S/C13H17NO3/c1-17-12-8-6-11(7-9-12)4-2-3-5-13(16)14-10-15/h6-10H,2-5H2,1H3,(H,14,15,16)
InChIKeyDFAFQIXNNPDGFX-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
5-(4-methoxyphenyl)pentanamide
CID 134389506
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
5-(4-methoxyphenyl)pentanoyl chloride
CID 21497235
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411

Frequently Asked Questions

What is the IUPAC name of N-formyl-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-formyl-5-(4-methoxyphenyl)pentanamide (CID 164557203) is N-formyl-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-formyl-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-formyl-5-(4-methoxyphenyl)pentanamide is COc1ccc(CCCCC(=O)NC=O)cc1.
What is the InChIKey of N-formyl-5-(4-methoxyphenyl)pentanamide?
The InChIKey is DFAFQIXNNPDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-12-8-6-11(7-9-12)4-2-3-5-13(16)14-10-15/h6-10H,2-5H2,1H3,(H,14,15,16).
What are the key properties of N-formyl-5-(4-methoxyphenyl)pentanamide?
N-formyl-5-(4-methoxyphenyl)pentanamide has a molecular weight of 235.28 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 164557203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).