N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C22H21NO3 — CID 121020539

IUPACN-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1
InChIInChI=1S/C22H21NO3/c1-25-20-5-3-2-4-19(20)22(11-12-22)21(24)23-14-16-6-8-17(9-7-16)18-10-13-26-15-18/h2-10,13,15H,11-12,14H2,1H3,(H,23,24)
InChIKeySGWWQLWZUHZVFK-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.30
Rot. Bonds6

About N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 121020539) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID121020539
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1
InChIInChI=1S/C22H21NO3/c1-25-20-5-3-2-4-19(20)22(11-12-22)21(24)23-14-16-6-8-17(9-7-16)18-10-13-26-15-18/h2-10,13,15H,11-12,14H2,1H3,(H,23,24)
InChIKeySGWWQLWZUHZVFK-UHFFFAOYSA-N
XLogP4.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 121020539) is N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1.
What is the InChIKey of N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is SGWWQLWZUHZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-20-5-3-2-4-19(20)22(11-12-22)21(24)23-14-16-6-8-17(9-7-16)18-10-13-26-15-18/h2-10,13,15H,11-12,14H2,1H3,(H,23,24).
What are the key properties of N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 121020539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).