N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide

C18H19NO2 — CID 2862625

IUPACN-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12-8-9-17(21-2)16(10-12)19-18(20)15-11-14(15)13-6-4-3-5-7-13/h3-10,14-15H,11H2,1-2H3,(H,19,20)
InChIKeyILWFNCDBGMJBKA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.75
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide

N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2862625) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2862625
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12-8-9-17(21-2)16(10-12)19-18(20)15-11-14(15)13-6-4-3-5-7-13/h3-10,14-15H,11H2,1-2H3,(H,19,20)
InChIKeyILWFNCDBGMJBKA-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 2862625) is N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ILWFNCDBGMJBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-8-9-17(21-2)16(10-12)19-18(20)15-11-14(15)13-6-4-3-5-7-13/h3-10,14-15H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2862625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).