N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide

C14H19NO3 — CID 871142

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(CCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-17-12-6-3-10(9-13(12)18-2)7-8-15-14(16)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyQPBWHEBUYQQIJN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.77
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 871142) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide
PubChem CID871142
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(CCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-17-12-6-3-10(9-13(12)18-2)7-8-15-14(16)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyQPBWHEBUYQQIJN-UHFFFAOYSA-N
XLogP1.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide (CID 871142) is N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide is COc1ccc(CCNC(=O)C2CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is QPBWHEBUYQQIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-6-3-10(9-13(12)18-2)7-8-15-14(16)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 871142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).