2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

C16H23NO3 — CID 658956

IUPAC2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCCCC1CC1C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-4-5-6-11-9-13(11)16(18)17-12-7-8-14(19-2)15(10-12)20-3/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyKHFJKEAAVQEAPJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.47
Rot. Bonds7

About 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 658956) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID658956
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCCCC1CC1C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-4-5-6-11-9-13(11)16(18)17-12-7-8-14(19-2)15(10-12)20-3/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyKHFJKEAAVQEAPJ-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (CID 658956) is 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is CCCCC1CC1C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is KHFJKEAAVQEAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-6-11-9-13(11)16(18)17-12-7-8-14(19-2)15(10-12)20-3/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 658956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).