N-butan-2-yl-2-(4-formylphenoxy)propanamide

C14H19NO3 — CID 43117148

IUPACN-butan-2-yl-2-(4-formylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3/c1-4-10(2)15-14(17)11(3)18-13-7-5-12(9-16)6-8-13/h5-11H,4H2,1-3H3,(H,15,17)
InChIKeyAKOKIIFOJZLCJU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds6

About N-butan-2-yl-2-(4-formylphenoxy)propanamide

N-butan-2-yl-2-(4-formylphenoxy)propanamide (PubChem CID 43117148) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-formylphenoxy)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-formylphenoxy)propanamide
PubChem CID43117148
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-butan-2-yl-2-(4-formylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3/c1-4-10(2)15-14(17)11(3)18-13-7-5-12(9-16)6-8-13/h5-11H,4H2,1-3H3,(H,15,17)
InChIKeyAKOKIIFOJZLCJU-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718348
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
CID 43112275
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-formylphenoxy)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-formylphenoxy)propanamide (CID 43117148) is N-butan-2-yl-2-(4-formylphenoxy)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-formylphenoxy)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-formylphenoxy)propanamide is CCC(C)NC(=O)C(C)Oc1ccc(C=O)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-formylphenoxy)propanamide?
The InChIKey is AKOKIIFOJZLCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-10(2)15-14(17)11(3)18-13-7-5-12(9-16)6-8-13/h5-11H,4H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(4-formylphenoxy)propanamide?
N-butan-2-yl-2-(4-formylphenoxy)propanamide has a molecular weight of 249.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-formylphenoxy)propanamide is sourced from PubChem (CID 43117148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).