3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide

C21H24N2O3 — CID 113115673

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(C)=O
InChIInChI=1S/C21H24N2O3/c1-3-14-23(17(2)24)15-13-21(25)22-19-9-11-20(12-10-19)26-16-18-7-5-4-6-8-18/h3-12H,1,13-16H2,2H3,(H,22,25)
InChIKeySZKGHICSQFHUFS-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.63
Rot. Bonds9

About 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide

3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 113115673) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID113115673
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(C)=O
InChIInChI=1S/C21H24N2O3/c1-3-14-23(17(2)24)15-13-21(25)22-19-9-11-20(12-10-19)26-16-18-7-5-4-6-8-18/h3-12H,1,13-16H2,2H3,(H,22,25)
InChIKeySZKGHICSQFHUFS-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136599
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007
3-(4-phenylmethoxyanilino)but-2-enoic acid
CID 154014909
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide (CID 113115673) is 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide is C=CCN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is SZKGHICSQFHUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-14-23(17(2)24)15-13-21(25)22-19-9-11-20(12-10-19)26-16-18-7-5-4-6-8-18/h3-12H,1,13-16H2,2H3,(H,22,25).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 113115673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).