3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide

C16H27N3O2 — CID 82990131

IUPAC3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(NCCOCCC(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-4-18-16(20)13-5-6-15(14(17)11-13)19-8-10-21-9-7-12(2)3/h5-6,11-12,19H,4,7-10,17H2,1-3H3,(H,18,20)
InChIKeyYJUZVPYCSMUIAS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.49
Rot. Bonds9

About 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide

3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide (PubChem CID 82990131) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
PubChem CID82990131
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(NCCOCCC(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-4-18-16(20)13-5-6-15(14(17)11-13)19-8-10-21-9-7-12(2)3/h5-6,11-12,19H,4,7-10,17H2,1-3H3,(H,18,20)
InChIKeyYJUZVPYCSMUIAS-UHFFFAOYSA-N
XLogP2.49
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide (CID 82990131) is 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide is CCNC(=O)c1ccc(NCCOCCC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide?
The InChIKey is YJUZVPYCSMUIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-18-16(20)13-5-6-15(14(17)11-13)19-8-10-21-9-7-12(2)3/h5-6,11-12,19H,4,7-10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide?
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide is sourced from PubChem (CID 82990131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).