N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C16H21NO2 — CID 66476131

IUPACN-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H21NO2/c1-10(18)11-7-6-8-12(9-11)17-14(19)13-15(2,3)16(13,4)5/h6-9,13H,1-5H3,(H,17,19)
InChIKeyORJOCOPREWTXAS-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.51
Rot. Bonds3

About N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66476131) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66476131
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H21NO2/c1-10(18)11-7-6-8-12(9-11)17-14(19)13-15(2,3)16(13,4)5/h6-9,13H,1-5H3,(H,17,19)
InChIKeyORJOCOPREWTXAS-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357454
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
(1S,4R,6R,9R)-N-(3-acetylphenyl)-10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxamide
CID 11896358
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
N-(4-acetamidophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23916671
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
N-(3-acetylphenyl)propanamide
CID 903063

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66476131) is N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2C(C)(C)C2(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is ORJOCOPREWTXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10(18)11-7-6-8-12(9-11)17-14(19)13-15(2,3)16(13,4)5/h6-9,13H,1-5H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66476131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).