1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide

C25H25NO2 — CID 67628200

IUPAC1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)c3ccccc3-c3ccccc3)CC2C)cc1
InChIInChI=1S/C25H25NO2/c1-18-17-25(18,20-13-15-21(28-3)16-14-20)24(27)26(2)23-12-8-7-11-22(23)19-9-5-4-6-10-19/h4-16,18H,17H2,1-3H3
InChIKeySEPYSZMIRZLUJG-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.30
Rot. Bonds5

About 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide

1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 67628200) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID67628200
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)c3ccccc3-c3ccccc3)CC2C)cc1
InChIInChI=1S/C25H25NO2/c1-18-17-25(18,20-13-15-21(28-3)16-14-20)24(27)26(2)23-12-8-7-11-22(23)19-9-5-4-6-10-19/h4-16,18H,17H2,1-3H3
InChIKeySEPYSZMIRZLUJG-UHFFFAOYSA-N
XLogP5.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide (CID 67628200) is 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)N(C)c3ccccc3-c3ccccc3)CC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SEPYSZMIRZLUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-18-17-25(18,20-13-15-21(28-3)16-14-20)24(27)26(2)23-12-8-7-11-22(23)19-9-5-4-6-10-19/h4-16,18H,17H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 67628200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).