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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Related Compounds

Capsaicin
CID 1548943
Rolipram
CID 5092
Zucapsaicin
CID 1548942
Olvanil
CID 5311093
Dihydrocapsaicin
CID 107982
Nonivamide
CID 2998
Homoveratrylamine
CID 8421
Arvanil
CID 6449767
Nordihydrocapsaicin
CID 168836
Rubemamine
CID 1042026
Ibopamine
CID 68555
Ibopamine Hydrochloride
CID 156320

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).