2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

C23H27NO2 — CID 3933013

IUPAC2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)CC2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H27NO2/c1-16-6-3-8-18(12-16)23(19-9-4-7-17(2)13-19)14-21(23)22(25)24-15-20-10-5-11-26-20/h3-4,6-9,12-13,20-21H,5,10-11,14-15H2,1-2H3,(H,24,25)
InChIKeyCTBCFLSLMGHFKB-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.90
Rot. Bonds5

About 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 3933013) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID3933013
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)CC2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H27NO2/c1-16-6-3-8-18(12-16)23(19-9-4-7-17(2)13-19)14-21(23)22(25)24-15-20-10-5-11-26-20/h3-4,6-9,12-13,20-21H,5,10-11,14-15H2,1-2H3,(H,24,25)
InChIKeyCTBCFLSLMGHFKB-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (CID 3933013) is 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is CTBCFLSLMGHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-16-6-3-8-18(12-16)23(19-9-4-7-17(2)13-19)14-21(23)22(25)24-15-20-10-5-11-26-20/h3-4,6-9,12-13,20-21H,5,10-11,14-15H2,1-2H3,(H,24,25).
What are the key properties of 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 349.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-methylphenyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3933013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).