N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide

C18H27NO — CID 164853883

IUPACN-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-16(2,3)13-7-9-14(10-8-13)18(11-12-18)19-15(20)17(4,5)6/h7-10H,11-12H2,1-6H3,(H,19,20)
InChIKeyANRFHZSOOBRURH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.14
Rot. Bonds2

About N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide

N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide (PubChem CID 164853883) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
PubChem CID164853883
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-16(2,3)13-7-9-14(10-8-13)18(11-12-18)19-15(20)17(4,5)6/h7-10H,11-12H2,1-6H3,(H,19,20)
InChIKeyANRFHZSOOBRURH-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide (CID 164853883) is N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide?
The InChIKey is ANRFHZSOOBRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-16(2,3)13-7-9-14(10-8-13)18(11-12-18)19-15(20)17(4,5)6/h7-10H,11-12H2,1-6H3,(H,19,20).
What are the key properties of N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide?
N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide has a molecular weight of 273.42 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 164853883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).