N-(3-amino-4-methylphenyl)-2-ethylhexanamide

C15H24N2O — CID 43125441

IUPACN-(3-amino-4-methylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C15H24N2O/c1-4-6-7-12(5-2)15(18)17-13-9-8-11(3)14(16)10-13/h8-10,12H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyPPUGJSIWKSJWIH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.73
Rot. Bonds6

About N-(3-amino-4-methylphenyl)-2-ethylhexanamide

N-(3-amino-4-methylphenyl)-2-ethylhexanamide (PubChem CID 43125441) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-ethylhexanamide
PubChem CID43125441
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-amino-4-methylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C15H24N2O/c1-4-6-7-12(5-2)15(18)17-13-9-8-11(3)14(16)10-13/h8-10,12H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyPPUGJSIWKSJWIH-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
CID 112517472
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
CID 19736343
N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
CID 82224877
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(2-amino-4-bromophenyl)-2-ethylhexanamide
CID 43130493
2-ethyl-N-[3-(2-ethylhexanoylamino)-4-nitrophenyl]hexanamide
CID 2931731
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-ethylhexanamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-ethylhexanamide (CID 43125441) is N-(3-amino-4-methylphenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-ethylhexanamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-ethylhexanamide?
The InChIKey is PPUGJSIWKSJWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-7-12(5-2)15(18)17-13-9-8-11(3)14(16)10-13/h8-10,12H,4-7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-4-methylphenyl)-2-ethylhexanamide?
N-(3-amino-4-methylphenyl)-2-ethylhexanamide has a molecular weight of 248.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-ethylhexanamide is sourced from PubChem (CID 43125441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).