5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide

C17H28N2O2 — CID 82013924

IUPAC5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCC(C)CN)c1
InChIInChI=1S/C17H28N2O2/c1-13(12-18)5-6-17(20)19(4)7-8-21-16-10-14(2)9-15(3)11-16/h9-11,13H,5-8,12,18H2,1-4H3
InChIKeyWGLZGSVWIAVTDG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds8

About 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide

5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide (PubChem CID 82013924) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
PubChem CID82013924
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCC(C)CN)c1
InChIInChI=1S/C17H28N2O2/c1-13(12-18)5-6-17(20)19(4)7-8-21-16-10-14(2)9-15(3)11-16/h9-11,13H,5-8,12,18H2,1-4H3
InChIKeyWGLZGSVWIAVTDG-UHFFFAOYSA-N
XLogP2.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 56530010
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
(2S,3S)-2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100129
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 31795480
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712379

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide?
The IUPAC name of 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide (CID 82013924) is 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide?
The canonical SMILES for 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide is Cc1cc(C)cc(OCCN(C)C(=O)CCC(C)CN)c1.
What is the InChIKey of 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide?
The InChIKey is WGLZGSVWIAVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(12-18)5-6-17(20)19(4)7-8-21-16-10-14(2)9-15(3)11-16/h9-11,13H,5-8,12,18H2,1-4H3.
What are the key properties of 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide?
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 82013924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).