3-amino-N-ethyl-4-(5-methylhexylamino)benzamide

C16H27N3O — CID 82999486

IUPAC3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
SMILESCCNC(=O)c1ccc(NCCCCC(C)C)c(N)c1
InChIInChI=1S/C16H27N3O/c1-4-18-16(20)13-8-9-15(14(17)11-13)19-10-6-5-7-12(2)3/h8-9,11-12,19H,4-7,10,17H2,1-3H3,(H,18,20)
InChIKeyQVMPITOYQQRAOM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.26
Rot. Bonds8

About 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide

3-amino-N-ethyl-4-(5-methylhexylamino)benzamide (PubChem CID 82999486) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
PubChem CID82999486
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
SMILESCCNC(=O)c1ccc(NCCCCC(C)C)c(N)c1
InChIInChI=1S/C16H27N3O/c1-4-18-16(20)13-8-9-15(14(17)11-13)19-10-6-5-7-12(2)3/h8-9,11-12,19H,4-7,10,17H2,1-3H3,(H,18,20)
InChIKeyQVMPITOYQQRAOM-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113866

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide (CID 82999486) is 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide is CCNC(=O)c1ccc(NCCCCC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide?
The InChIKey is QVMPITOYQQRAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-18-16(20)13-8-9-15(14(17)11-13)19-10-6-5-7-12(2)3/h8-9,11-12,19H,4-7,10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide?
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide has a molecular weight of 277.41 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(5-methylhexylamino)benzamide is sourced from PubChem (CID 82999486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).