5-amino-2-[methyl(3-methylbutyl)amino]benzamide

C13H21N3O — CID 61429127

IUPAC5-amino-2-[methyl(3-methylbutyl)amino]benzamide
SMILESCC(C)CCN(C)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-9(2)6-7-16(3)12-5-4-10(14)8-11(12)13(15)17/h4-5,8-9H,6-7,14H2,1-3H3,(H2,15,17)
InChIKeyKNUMIUXONUEHHE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.85
Rot. Bonds5

About 5-amino-2-[methyl(3-methylbutyl)amino]benzamide

5-amino-2-[methyl(3-methylbutyl)amino]benzamide (PubChem CID 61429127) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-2-[methyl(3-methylbutyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[methyl(3-methylbutyl)amino]benzamide
PubChem CID61429127
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-2-[methyl(3-methylbutyl)amino]benzamide
SMILESCC(C)CCN(C)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-9(2)6-7-16(3)12-5-4-10(14)8-11(12)13(15)17/h4-5,8-9H,6-7,14H2,1-3H3,(H2,15,17)
InChIKeyKNUMIUXONUEHHE-UHFFFAOYSA-N
XLogP1.85
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62494542
2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
CID 115318269
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
2-[methyl(3-methylbutyl)amino]benzoic acid
CID 61428885
2-[(3-amino-4-methylpentyl)-methylamino]-5-nitrobenzamide
CID 115318061
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
5-amino-2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid
CID 63116508
5-amino-2-[bis(2-methylpropyl)amino]benzoic acid
CID 61376744

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(3-methylbutyl)amino]benzamide?
The IUPAC name of 5-amino-2-[methyl(3-methylbutyl)amino]benzamide (CID 61429127) is 5-amino-2-[methyl(3-methylbutyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[methyl(3-methylbutyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[methyl(3-methylbutyl)amino]benzamide is CC(C)CCN(C)c1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[methyl(3-methylbutyl)amino]benzamide?
The InChIKey is KNUMIUXONUEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)6-7-16(3)12-5-4-10(14)8-11(12)13(15)17/h4-5,8-9H,6-7,14H2,1-3H3,(H2,15,17).
What are the key properties of 5-amino-2-[methyl(3-methylbutyl)amino]benzamide?
5-amino-2-[methyl(3-methylbutyl)amino]benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(3-methylbutyl)amino]benzamide is sourced from PubChem (CID 61429127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).