1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide

C20H25NO2 — CID 55606445

IUPAC1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)NCCc3ccco3)CC2)cc1
InChIInChI=1S/C20H25NO2/c1-19(2,3)15-6-8-16(9-7-15)20(11-12-20)18(22)21-13-10-17-5-4-14-23-17/h4-9,14H,10-13H2,1-3H3,(H,21,22)
InChIKeyFCRRGQQWFKFTRL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.97
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 55606445) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID55606445
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)NCCc3ccco3)CC2)cc1
InChIInChI=1S/C20H25NO2/c1-19(2,3)15-6-8-16(9-7-15)20(11-12-20)18(22)21-13-10-17-5-4-14-23-17/h4-9,14H,10-13H2,1-3H3,(H,21,22)
InChIKeyFCRRGQQWFKFTRL-UHFFFAOYSA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide
CID 90605098
2-(ethylamino)-N-[2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 62831566
3-ethyl-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 63130359
N-[2-(furan-2-yl)ethyl]-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921509
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide
CID 86921329
1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 32566657

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide (CID 55606445) is 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide is CC(C)(C)c1ccc(C2(C(=O)NCCc3ccco3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is FCRRGQQWFKFTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-19(2,3)15-6-8-16(9-7-15)20(11-12-20)18(22)21-13-10-17-5-4-14-23-17/h4-9,14H,10-13H2,1-3H3,(H,21,22).
What are the key properties of 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55606445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).