2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide

C19H28N2O — CID 75398577

IUPAC2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C19H28N2O/c1-3-21(4-2)19(22)13-14-6-9-17(10-7-14)20-18-12-15-5-8-16(18)11-15/h6-7,9-10,15-16,18,20H,3-5,8,11-13H2,1-2H3
InChIKeyMHYRJMPYMMEURK-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.70
Rot. Bonds6

About 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide

2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide (PubChem CID 75398577) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide
PubChem CID75398577
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C19H28N2O/c1-3-21(4-2)19(22)13-14-6-9-17(10-7-14)20-18-12-15-5-8-16(18)11-15/h6-7,9-10,15-16,18,20H,3-5,8,11-13H2,1-2H3
InChIKeyMHYRJMPYMMEURK-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide (CID 75398577) is 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1ccc(NC2CC3CCC2C3)cc1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide?
The InChIKey is MHYRJMPYMMEURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-21(4-2)19(22)13-14-6-9-17(10-7-14)20-18-12-15-5-8-16(18)11-15/h6-7,9-10,15-16,18,20H,3-5,8,11-13H2,1-2H3.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide?
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide has a molecular weight of 300.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide is sourced from PubChem (CID 75398577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).