N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide

C17H28N2O — CID 119440882

IUPACN-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
SMILESCCNCc1ccccc1NC(=O)CCCC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-5-18-13-14-9-6-7-10-15(14)19-16(20)11-8-12-17(2,3)4/h6-7,9-10,18H,5,8,11-13H2,1-4H3,(H,19,20)
InChIKeyUOGLHEVWOGXBGH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide

N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide (PubChem CID 119440882) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
PubChem CID119440882
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
SMILESCCNCc1ccccc1NC(=O)CCCC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-5-18-13-14-9-6-7-10-15(14)19-16(20)11-8-12-17(2,3)4/h6-7,9-10,18H,5,8,11-13H2,1-4H3,(H,19,20)
InChIKeyUOGLHEVWOGXBGH-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
CID 119440586
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119439887
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide (CID 119440882) is N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide is CCNCc1ccccc1NC(=O)CCCC(C)(C)C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide?
The InChIKey is UOGLHEVWOGXBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-13-14-9-6-7-10-15(14)19-16(20)11-8-12-17(2,3)4/h6-7,9-10,18H,5,8,11-13H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide?
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 119440882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).