N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

C19H21NO2 — CID 113198206

IUPACN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c1-14-3-7-16(8-4-14)19(11-12-19)18(21)20-13-15-5-9-17(22-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyAOLCVKLHPNTDKK-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.35
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 113198206) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID113198206
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c1-14-3-7-16(8-4-14)19(11-12-19)18(21)20-13-15-5-9-17(22-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyAOLCVKLHPNTDKK-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 113198206) is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is AOLCVKLHPNTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-3-7-16(8-4-14)19(11-12-19)18(21)20-13-15-5-9-17(22-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113198206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).