2-amino-5-(5-methylhexan-2-ylamino)benzamide

C14H23N3O — CID 63925139

IUPAC2-amino-5-(5-methylhexan-2-ylamino)benzamide
SMILESCC(C)CCC(C)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H23N3O/c1-9(2)4-5-10(3)17-11-6-7-13(15)12(8-11)14(16)18/h6-10,17H,4-5,15H2,1-3H3,(H2,16,18)
InChIKeyHDDJZKXPLHJEGQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.60
Rot. Bonds6

About 2-amino-5-(5-methylhexan-2-ylamino)benzamide

2-amino-5-(5-methylhexan-2-ylamino)benzamide (PubChem CID 63925139) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-5-(5-methylhexan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(5-methylhexan-2-ylamino)benzamide
PubChem CID63925139
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-5-(5-methylhexan-2-ylamino)benzamide
SMILESCC(C)CCC(C)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H23N3O/c1-9(2)4-5-10(3)17-11-6-7-13(15)12(8-11)14(16)18/h6-10,17H,4-5,15H2,1-3H3,(H2,16,18)
InChIKeyHDDJZKXPLHJEGQ-UHFFFAOYSA-N
XLogP2.60
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
4-N-(5-methylhexan-2-yl)benzene-1,2,4-triamine
CID 106750847
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
CID 104612184
2-methyl-4-(5-methylhexan-2-ylamino)benzenecarbothioamide
CID 81277688
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
ethyl 2-amino-5-(heptan-2-ylamino)benzoate
CID 63423299
2-methyl-4-(5-methylhexan-2-ylamino)benzoic acid
CID 81282290
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
1-[2-amino-5-(3-methylbutylamino)phenyl]ethanone
CID 104612208

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-methylhexan-2-ylamino)benzamide?
The IUPAC name of 2-amino-5-(5-methylhexan-2-ylamino)benzamide (CID 63925139) is 2-amino-5-(5-methylhexan-2-ylamino)benzamide.
What is the SMILES notation for 2-amino-5-(5-methylhexan-2-ylamino)benzamide?
The canonical SMILES for 2-amino-5-(5-methylhexan-2-ylamino)benzamide is CC(C)CCC(C)Nc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(5-methylhexan-2-ylamino)benzamide?
The InChIKey is HDDJZKXPLHJEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)4-5-10(3)17-11-6-7-13(15)12(8-11)14(16)18/h6-10,17H,4-5,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-amino-5-(5-methylhexan-2-ylamino)benzamide?
2-amino-5-(5-methylhexan-2-ylamino)benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-methylhexan-2-ylamino)benzamide is sourced from PubChem (CID 63925139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).