6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide

C17H28N2O — CID 65291071

IUPAC6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide
SMILESCc1cc(C)cc(N(C)C(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C17H28N2O/c1-13-10-14(2)12-15(11-13)19(5)16(20)6-7-17(3,4)8-9-18/h10-12H,6-9,18H2,1-5H3
InChIKeyCDBCTKUVWLKUCQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds6

About 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide

6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide (PubChem CID 65291071) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide
PubChem CID65291071
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide
SMILESCc1cc(C)cc(N(C)C(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C17H28N2O/c1-13-10-14(2)12-15(11-13)19(5)16(20)6-7-17(3,4)8-9-18/h10-12H,6-9,18H2,1-5H3
InChIKeyCDBCTKUVWLKUCQ-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide?
The IUPAC name of 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide (CID 65291071) is 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide.
What is the SMILES notation for 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide?
The canonical SMILES for 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide is Cc1cc(C)cc(N(C)C(=O)CCC(C)(C)CCN)c1.
What is the InChIKey of 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide?
The InChIKey is CDBCTKUVWLKUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-14(2)12-15(11-13)19(5)16(20)6-7-17(3,4)8-9-18/h10-12H,6-9,18H2,1-5H3.
What are the key properties of 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide?
6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,5-dimethylphenyl)-N,4,4-trimethylhexanamide is sourced from PubChem (CID 65291071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).