N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C21H25NO2 — CID 84569199

IUPACN-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CC1c1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-4-14(2)17-7-5-6-8-20(17)22-21(23)19-13-18(19)15-9-11-16(24-3)12-10-15/h5-12,14,18-19H,4,13H2,1-3H3,(H,22,23)
InChIKeyBOLHLKRVNGMSTM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.95
Rot. Bonds6

About N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 84569199) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID84569199
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CC1c1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-4-14(2)17-7-5-6-8-20(17)22-21(23)19-13-18(19)15-9-11-16(24-3)12-10-15/h5-12,14,18-19H,4,13H2,1-3H3,(H,22,23)
InChIKeyBOLHLKRVNGMSTM-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 84569199) is N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is CCC(C)c1ccccc1NC(=O)C1CC1c1ccc(OC)cc1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is BOLHLKRVNGMSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-14(2)17-7-5-6-8-20(17)22-21(23)19-13-18(19)15-9-11-16(24-3)12-10-15/h5-12,14,18-19H,4,13H2,1-3H3,(H,22,23).
What are the key properties of N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 84569199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).