4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide

C15H25N3O — CID 55190897

IUPAC4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
SMILESCCCCN(CC)c1cc(C(=O)NCC)ccc1N
InChIInChI=1S/C15H25N3O/c1-4-7-10-18(6-3)14-11-12(8-9-13(14)16)15(19)17-5-2/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyXDAXFUABIIOJTA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds7

About 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide

4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide (PubChem CID 55190897) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
PubChem CID55190897
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
SMILESCCCCN(CC)c1cc(C(=O)NCC)ccc1N
InChIInChI=1S/C15H25N3O/c1-4-7-10-18(6-3)14-11-12(8-9-13(14)16)15(19)17-5-2/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyXDAXFUABIIOJTA-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide
CID 63360980
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
4-amino-3-[2-cyanoethyl(methyl)amino]-N-ethylbenzamide
CID 55190898
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide?
The IUPAC name of 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide (CID 55190897) is 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide is CCCCN(CC)c1cc(C(=O)NCC)ccc1N.
What is the InChIKey of 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide?
The InChIKey is XDAXFUABIIOJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-10-18(6-3)14-11-12(8-9-13(14)16)15(19)17-5-2/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide?
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 55190897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).