N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide

C15H21NO3 — CID 13343243

IUPACN-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide
SMILESCCOc1cc(NC(=O)C2CC2)cc(C)c1OCC
InChIInChI=1S/C15H21NO3/c1-4-18-13-9-12(16-15(17)11-6-7-11)8-10(3)14(13)19-5-2/h8-9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyXNXLYDYZLBNCMV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds6

About N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide

N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide (PubChem CID 13343243) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide
PubChem CID13343243
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide
SMILESCCOc1cc(NC(=O)C2CC2)cc(C)c1OCC
InChIInChI=1S/C15H21NO3/c1-4-18-13-9-12(16-15(17)11-6-7-11)8-10(3)14(13)19-5-2/h8-9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyXNXLYDYZLBNCMV-UHFFFAOYSA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)cyclopropanecarboxamide
CID 122301831
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 100690476
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629662
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide (CID 13343243) is N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide is CCOc1cc(NC(=O)C2CC2)cc(C)c1OCC.
What is the InChIKey of N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide?
The InChIKey is XNXLYDYZLBNCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-18-13-9-12(16-15(17)11-6-7-11)8-10(3)14(13)19-5-2/h8-9,11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide?
N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide has a molecular weight of 263.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxy-5-methylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 13343243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).