2-ethyl-2-(4-formylphenyl)pentanamide

C14H19NO2 — CID 174749604

IUPAC2-ethyl-2-(4-formylphenyl)pentanamide
SMILESCCCC(CC)(C(N)=O)c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO2/c1-3-9-14(4-2,13(15)17)12-7-5-11(10-16)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17)
InChIKeyDALBBMZSSLICEV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds6

About 2-ethyl-2-(4-formylphenyl)pentanamide

2-ethyl-2-(4-formylphenyl)pentanamide (PubChem CID 174749604) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-ethyl-2-(4-formylphenyl)pentanamide.

Molecular Properties

Compound Name2-ethyl-2-(4-formylphenyl)pentanamide
PubChem CID174749604
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-ethyl-2-(4-formylphenyl)pentanamide
SMILESCCCC(CC)(C(N)=O)c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO2/c1-3-9-14(4-2,13(15)17)12-7-5-11(10-16)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17)
InChIKeyDALBBMZSSLICEV-UHFFFAOYSA-N
XLogP2.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
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

4-(5-hydroxynonan-5-yl)benzaldehyde
CID 100961929
4-(1,1-diaminopropyl)benzaldehyde
CID 163938145
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
4-[amino(difluoro)methyl]benzaldehyde
CID 90101220
4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde
CID 105438723
N-butyl-4-formylbenzamide
CID 118474745
(E)-3-[4-(1,1-difluorobutyl)phenyl]prop-2-enoic acid
CID 116992184
4-formylbenzamide;methanamine
CID 144619239
4-[(1S,2S)-1-amino-2-hydroxy-1-methoxyhexyl]benzaldehyde;hydrochloride
CID 171264747
4-aminooxybenzaldehyde;propanamide
CID 175549934
4-[(E)-3-oxopent-1-enyl]benzaldehyde
CID 127259618
4-[(1R,2R)-1-amino-2-hydroxy-1-methoxypentyl]benzaldehyde
CID 171270418

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-formylphenyl)pentanamide?
The IUPAC name of 2-ethyl-2-(4-formylphenyl)pentanamide (CID 174749604) is 2-ethyl-2-(4-formylphenyl)pentanamide.
What is the SMILES notation for 2-ethyl-2-(4-formylphenyl)pentanamide?
The canonical SMILES for 2-ethyl-2-(4-formylphenyl)pentanamide is CCCC(CC)(C(N)=O)c1ccc(C=O)cc1.
What is the InChIKey of 2-ethyl-2-(4-formylphenyl)pentanamide?
The InChIKey is DALBBMZSSLICEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-9-14(4-2,13(15)17)12-7-5-11(10-16)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-ethyl-2-(4-formylphenyl)pentanamide?
2-ethyl-2-(4-formylphenyl)pentanamide has a molecular weight of 233.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-formylphenyl)pentanamide is sourced from PubChem (CID 174749604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).