4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide

C17H28N2O — CID 115327258

IUPAC4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
SMILESCCNc1ccc(C(=O)NCCCCC(C)C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-18-16-10-9-15(12-14(16)4)17(20)19-11-7-6-8-13(2)3/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyNVMRITXFHVTMLK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.98
Rot. Bonds8

About 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide

4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide (PubChem CID 115327258) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
PubChem CID115327258
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
SMILESCCNc1ccc(C(=O)NCCCCC(C)C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-18-16-10-9-15(12-14(16)4)17(20)19-11-7-6-8-13(2)3/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyNVMRITXFHVTMLK-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
CID 55161115
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327297
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
CID 106027950
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide (CID 115327258) is 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide is CCNc1ccc(C(=O)NCCCCC(C)C)cc1C.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide?
The InChIKey is NVMRITXFHVTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-16-10-9-15(12-14(16)4)17(20)19-11-7-6-8-13(2)3/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,19,20).
What are the key properties of 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide?
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide has a molecular weight of 276.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide is sourced from PubChem (CID 115327258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).