N-(4-formylphenyl)butanamide

C11H13NO2 — CID 14471017

IUPACN-(4-formylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H13NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h4-8H,2-3H2,1H3,(H,12,14)
InChIKeyQOFYCZQQGPFMRL-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.24
Rot. Bonds4

About N-(4-formylphenyl)butanamide

N-(4-formylphenyl)butanamide (PubChem CID 14471017) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(4-formylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-formylphenyl)butanamide
PubChem CID14471017
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(4-formylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H13NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h4-8H,2-3H2,1H3,(H,12,14)
InChIKeyQOFYCZQQGPFMRL-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
2-aminoacetic acid;azane;(2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)butanamide
CID 173288282
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-(3-formyl-4-hydroxyphenyl)butanamide
CID 174392069
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-formylphenyl)but-3-enamide
CID 142510252
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-(4-ethenylphenyl)hexanamide
CID 132540479
(E)-4-[4-(butanoylamino)anilino]-4-oxobut-2-enoic acid
CID 17202441
2-[4-(butanoylamino)phenyl]ethyl formate
CID 87851880

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)butanamide?
The IUPAC name of N-(4-formylphenyl)butanamide (CID 14471017) is N-(4-formylphenyl)butanamide.
What is the SMILES notation for N-(4-formylphenyl)butanamide?
The canonical SMILES for N-(4-formylphenyl)butanamide is CCCC(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)butanamide?
The InChIKey is QOFYCZQQGPFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h4-8H,2-3H2,1H3,(H,12,14).
What are the key properties of N-(4-formylphenyl)butanamide?
N-(4-formylphenyl)butanamide has a molecular weight of 191.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)butanamide is sourced from PubChem (CID 14471017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).