3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide

C16H26N2O2 — CID 81489998

IUPAC3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(C)(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-12-8-13(2)10-14(9-12)20-7-6-18(5)15(19)16(3,4)11-17/h8-10H,6-7,11,17H2,1-5H3
InChIKeyXFRHMASROQNMTF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds6

About 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide

3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide (PubChem CID 81489998) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
PubChem CID81489998
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(C)(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-12-8-13(2)10-14(9-12)20-7-6-18(5)15(19)16(3,4)11-17/h8-10H,6-7,11,17H2,1-5H3
InChIKeyXFRHMASROQNMTF-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide (CID 81489998) is 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide is Cc1cc(C)cc(OCCN(C)C(=O)C(C)(C)CN)c1.
What is the InChIKey of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide?
The InChIKey is XFRHMASROQNMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-8-13(2)10-14(9-12)20-7-6-18(5)15(19)16(3,4)11-17/h8-10H,6-7,11,17H2,1-5H3.
What are the key properties of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide?
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 81489998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).