2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C19H28N2O2 — CID 84563712

IUPAC2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESC=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)=O
InChIInChI=1S/C19H28N2O2/c1-7-11-21(15(6)22)12-18(23)20-19-16(13(2)3)9-8-10-17(19)14(4)5/h7-10,13-14H,1,11-12H2,2-6H3,(H,20,23)
InChIKeyQSVJGVCKLDTRRN-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.91
Rot. Bonds7

About 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 84563712) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID84563712
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESC=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)=O
InChIInChI=1S/C19H28N2O2/c1-7-11-21(15(6)22)12-18(23)20-19-16(13(2)3)9-8-10-17(19)14(4)5/h7-10,13-14H,1,11-12H2,2-6H3,(H,20,23)
InChIKeyQSVJGVCKLDTRRN-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113160158
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-prop-2-enylamino]acetamide
CID 42768503
2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 84566729
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113117613
2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 84563712) is 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is QSVJGVCKLDTRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-7-11-21(15(6)22)12-18(23)20-19-16(13(2)3)9-8-10-17(19)14(4)5/h7-10,13-14H,1,11-12H2,2-6H3,(H,20,23).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 84563712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).