N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide

C20H23NO3 — CID 82156297

IUPACN-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(C=O)ccc2OC(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)24-19-10-8-17(13-22)12-18(19)21-20(23)11-9-16-6-4-15(3)5-7-16/h4-8,10,12-14H,9,11H2,1-3H3,(H,21,23)
InChIKeyKYTZQQUSBIYQOT-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.17
Rot. Bonds7

About N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide

N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide (PubChem CID 82156297) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide
PubChem CID82156297
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(C=O)ccc2OC(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)24-19-10-8-17(13-22)12-18(19)21-20(23)11-9-16-6-4-15(3)5-7-16/h4-8,10,12-14H,9,11H2,1-3H3,(H,21,23)
InChIKeyKYTZQQUSBIYQOT-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.17
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-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide
CID 82156296
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide
CID 94763058
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
N,3-bis(4-methylphenyl)propanamide
CID 19220434
2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
N-(5-formyl-2-methoxyphenyl)-2-phenylacetamide
CID 82156108
N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
CID 82156208
3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196498

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide (CID 82156297) is N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cc(C=O)ccc2OC(C)C)cc1.
What is the InChIKey of N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is KYTZQQUSBIYQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)24-19-10-8-17(13-22)12-18(19)21-20(23)11-9-16-6-4-15(3)5-7-16/h4-8,10,12-14H,9,11H2,1-3H3,(H,21,23).
What are the key properties of N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide?
N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 82156297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).