N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide

C19H21NO3 — CID 23409214

IUPACN-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
SMILESCCCCc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-3-4-15-5-9-17(10-6-15)20-19(22)14-23-18-11-7-16(13-21)8-12-18/h5-13H,2-4,14H2,1H3,(H,20,22)
InChIKeyWEEWKGCYNLYBPS-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.86
Rot. Bonds8

About N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide

N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide (PubChem CID 23409214) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
PubChem CID23409214
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
SMILESCCCCc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-3-4-15-5-9-17(10-6-15)20-19(22)14-23-18-11-7-16(13-21)8-12-18/h5-13H,2-4,14H2,1H3,(H,20,22)
InChIKeyWEEWKGCYNLYBPS-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.86
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-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788208
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
2-(4-aminophenoxy)-N-(4-propylphenyl)acetamide
CID 61027141
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
4-(4-butylphenoxy)benzaldehyde
CID 10824839
N-(4-carbamothioylphenyl)-2-(4-formylphenoxy)acetamide
CID 39159240
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
4-butyl-N-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 5171359
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide (CID 23409214) is N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide is CCCCc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide?
The InChIKey is WEEWKGCYNLYBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-3-4-15-5-9-17(10-6-15)20-19(22)14-23-18-11-7-16(13-21)8-12-18/h5-13H,2-4,14H2,1H3,(H,20,22).
What are the key properties of N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide?
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 23409214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).