4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide

C15H25N3O — CID 55190535

IUPAC4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(N(C)CCC(C)C)c1
InChIInChI=1S/C15H25N3O/c1-5-17-15(19)12-6-7-13(16)14(10-12)18(4)9-8-11(2)3/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,17,19)
InChIKeyJDZGCSRRBYIJLQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds6

About 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide

4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide (PubChem CID 55190535) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
PubChem CID55190535
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(N(C)CCC(C)C)c1
InChIInChI=1S/C15H25N3O/c1-5-17-15(19)12-6-7-13(16)14(10-12)18(4)9-8-11(2)3/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,17,19)
InChIKeyJDZGCSRRBYIJLQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
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

4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
4-amino-3-[2-cyanoethyl(methyl)amino]-N-ethylbenzamide
CID 55190898
ethyl 4-amino-3-[methyl(3-methylbutyl)amino]benzoate
CID 82785472
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575
4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide
CID 63360980
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
CID 82999560

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide (CID 55190535) is 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide is CCNC(=O)c1ccc(N)c(N(C)CCC(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide?
The InChIKey is JDZGCSRRBYIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-17-15(19)12-6-7-13(16)14(10-12)18(4)9-8-11(2)3/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide?
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide is sourced from PubChem (CID 55190535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).