N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide

C16H26N2O3 — CID 139792961

IUPACN-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(OC)c(N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-7-8-11(6-2)16(19)18-13-10-14(20-3)12(17)9-15(13)21-4/h9-11H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyXPMUWDJZKOWFIL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.44
Rot. Bonds8

About N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide

N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide (PubChem CID 139792961) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
PubChem CID139792961
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(OC)c(N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-7-8-11(6-2)16(19)18-13-10-14(20-3)12(17)9-15(13)21-4/h9-11H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyXPMUWDJZKOWFIL-UHFFFAOYSA-N
XLogP3.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
N-(2-amino-5-methoxyphenyl)-2-ethylhexanamide;hydrochloride
CID 120607557
(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
CID 7299565
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(2-amino-4-bromophenyl)-2-ethylhexanamide
CID 43130493
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
methyl 2-(2-ethylhexanoylamino)benzoate
CID 4589929
2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
CID 610932
N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
CID 43548371

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide?
The IUPAC name of N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide (CID 139792961) is N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide?
The canonical SMILES for N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cc(OC)c(N)cc1OC.
What is the InChIKey of N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide?
The InChIKey is XPMUWDJZKOWFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-7-8-11(6-2)16(19)18-13-10-14(20-3)12(17)9-15(13)21-4/h9-11H,5-8,17H2,1-4H3,(H,18,19).
What are the key properties of N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide?
N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide has a molecular weight of 294.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide is sourced from PubChem (CID 139792961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).