N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide

C14H17NO3 — CID 82156326

IUPACN-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)C1CC1
InChIInChI=1S/C14H17NO3/c1-3-18-13-7-6-11(9(2)16)8-12(13)15-14(17)10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,15,17)
InChIKeyPGHGVHMGKWQXGY-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.64
Rot. Bonds5

About N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide

N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide (PubChem CID 82156326) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
PubChem CID82156326
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)C1CC1
InChIInChI=1S/C14H17NO3/c1-3-18-13-7-6-11(9(2)16)8-12(13)15-14(17)10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,15,17)
InChIKeyPGHGVHMGKWQXGY-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 82156444
N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide
CID 94763152
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 72902474
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide (CID 82156326) is N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide is CCOc1ccc(C(C)=O)cc1NC(=O)C1CC1.
What is the InChIKey of N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide?
The InChIKey is PGHGVHMGKWQXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-18-13-7-6-11(9(2)16)8-12(13)15-14(17)10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide?
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 82156326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).