2-amino-N-(2-ethylhexyl)-3-methylbenzamide

C16H26N2O — CID 103604526

IUPAC2-amino-N-(2-ethylhexyl)-3-methylbenzamide
SMILESCCCCC(CC)CNC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H26N2O/c1-4-6-9-13(5-2)11-18-16(19)14-10-7-8-12(3)15(14)17/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,19)
InChIKeyCOVYLBVLYYDHDF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.52
Rot. Bonds7

About 2-amino-N-(2-ethylhexyl)-3-methylbenzamide

2-amino-N-(2-ethylhexyl)-3-methylbenzamide (PubChem CID 103604526) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-(2-ethylhexyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylhexyl)-3-methylbenzamide
PubChem CID103604526
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-(2-ethylhexyl)-3-methylbenzamide
SMILESCCCCC(CC)CNC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H26N2O/c1-4-6-9-13(5-2)11-18-16(19)14-10-7-8-12(3)15(14)17/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,19)
InChIKeyCOVYLBVLYYDHDF-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.52
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

2-amino-N-(2-ethylhexyl)-6-methylbenzamide
CID 107819599
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-[(2R)-2-ethylhexyl]-2-methylfuran-3-carboxamide
CID 40537880
N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42941260
N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 107815415
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
2-bromo-N-(4-chloro-2-ethylbutyl)-3-methylbenzamide
CID 107983971

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylhexyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(2-ethylhexyl)-3-methylbenzamide (CID 103604526) is 2-amino-N-(2-ethylhexyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-ethylhexyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-ethylhexyl)-3-methylbenzamide is CCCCC(CC)CNC(=O)c1cccc(C)c1N.
What is the InChIKey of 2-amino-N-(2-ethylhexyl)-3-methylbenzamide?
The InChIKey is COVYLBVLYYDHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-9-13(5-2)11-18-16(19)14-10-7-8-12(3)15(14)17/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(2-ethylhexyl)-3-methylbenzamide?
2-amino-N-(2-ethylhexyl)-3-methylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylhexyl)-3-methylbenzamide is sourced from PubChem (CID 103604526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).