N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide

C19H21NO3 — CID 94763143

IUPACN-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
SMILESCCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C19H21NO3/c1-4-10-23-18-9-8-15(14(3)21)12-17(18)20-19(22)16-7-5-6-13(2)11-16/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)
InChIKeyVQENPSAKPKILIS-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.24
Rot. Bonds6

About N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide

N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide (PubChem CID 94763143) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
PubChem CID94763143
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
SMILESCCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C19H21NO3/c1-4-10-23-18-9-8-15(14(3)21)12-17(18)20-19(22)16-7-5-6-13(2)11-16/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)
InChIKeyVQENPSAKPKILIS-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide
CID 82156414
N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide
CID 82156416
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
CID 94763029

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide?
The IUPAC name of N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide (CID 94763143) is N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide?
The canonical SMILES for N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide is CCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(C)c1.
What is the InChIKey of N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide?
The InChIKey is VQENPSAKPKILIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-10-23-18-9-8-15(14(3)21)12-17(18)20-19(22)16-7-5-6-13(2)11-16/h5-9,11-12H,4,10H2,1-3H3,(H,20,22).
What are the key properties of N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide?
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 94763143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).