2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide

C16H22N2O3 — CID 113158570

IUPAC2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C16H22N2O3/c1-5-10-18(13(4)19)11-16(20)17-14-6-8-15(9-7-14)21-12(2)3/h5-9,12H,1,10-11H2,2-4H3,(H,17,20)
InChIKeyNRSVLJFWHABQJL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.45
Rot. Bonds7

About 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide

2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 113158570) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID113158570
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C16H22N2O3/c1-5-10-18(13(4)19)11-16(20)17-14-6-8-15(9-7-14)21-12(2)3/h5-9,12H,1,10-11H2,2-4H3,(H,17,20)
InChIKeyNRSVLJFWHABQJL-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.45
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

N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
2-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113164905
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 84563712
2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
CID 113174445
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide
CID 100501553

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide (CID 113158570) is 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide is C=CCN(CC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is NRSVLJFWHABQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-10-18(13(4)19)11-16(20)17-14-6-8-15(9-7-14)21-12(2)3/h5-9,12H,1,10-11H2,2-4H3,(H,17,20).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide?
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113158570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).