N-(3-formyl-4-hydroxyphenyl)butanamide

C11H13NO3 — CID 174392069

IUPACN-(3-formyl-4-hydroxyphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(O)c(C=O)c1
InChIInChI=1S/C11H13NO3/c1-2-3-11(15)12-9-4-5-10(14)8(6-9)7-13/h4-7,14H,2-3H2,1H3,(H,12,15)
InChIKeyFYGHMPIOSLVSIZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.94
Rot. Bonds4

About N-(3-formyl-4-hydroxyphenyl)butanamide

N-(3-formyl-4-hydroxyphenyl)butanamide (PubChem CID 174392069) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(3-formyl-4-hydroxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-formyl-4-hydroxyphenyl)butanamide
PubChem CID174392069
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(3-formyl-4-hydroxyphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(O)c(C=O)c1
InChIInChI=1S/C11H13NO3/c1-2-3-11(15)12-9-4-5-10(14)8(6-9)7-13/h4-7,14H,2-3H2,1H3,(H,12,15)
InChIKeyFYGHMPIOSLVSIZ-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formylphenyl)butanamide
CID 14471017
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide
CID 104583219
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-phenazin-2-ylbutanamide
CID 73349412
N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide
CID 82707355
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
2-[1-[5-(butanoylamino)-2-hydroxyphenyl]ethylamino]propanoic acid
CID 61499719
N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide
CID 122358590
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-hydroxyphenyl)butanamide?
The IUPAC name of N-(3-formyl-4-hydroxyphenyl)butanamide (CID 174392069) is N-(3-formyl-4-hydroxyphenyl)butanamide.
What is the SMILES notation for N-(3-formyl-4-hydroxyphenyl)butanamide?
The canonical SMILES for N-(3-formyl-4-hydroxyphenyl)butanamide is CCCC(=O)Nc1ccc(O)c(C=O)c1.
What is the InChIKey of N-(3-formyl-4-hydroxyphenyl)butanamide?
The InChIKey is FYGHMPIOSLVSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-3-11(15)12-9-4-5-10(14)8(6-9)7-13/h4-7,14H,2-3H2,1H3,(H,12,15).
What are the key properties of N-(3-formyl-4-hydroxyphenyl)butanamide?
N-(3-formyl-4-hydroxyphenyl)butanamide has a molecular weight of 207.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-hydroxyphenyl)butanamide is sourced from PubChem (CID 174392069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).