2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide

C14H21N3O — CID 113332803

IUPAC2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(c1cccc(C(N)=O)c1N)C1CC1
InChIInChI=1S/C14H21N3O/c1-9(2)8-17(10-6-7-10)12-5-3-4-11(13(12)15)14(16)18/h3-5,9-10H,6-8,15H2,1-2H3,(H2,16,18)
InChIKeyDDKQOFCCQCJUIH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide

2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide (PubChem CID 113332803) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
PubChem CID113332803
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(c1cccc(C(N)=O)c1N)C1CC1
InChIInChI=1S/C14H21N3O/c1-9(2)8-17(10-6-7-10)12-5-3-4-11(13(12)15)14(16)18/h3-5,9-10H,6-8,15H2,1-2H3,(H2,16,18)
InChIKeyDDKQOFCCQCJUIH-UHFFFAOYSA-N
XLogP1.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
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

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U 17660
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5-Amino-2-pyrrolidin-1-yl-benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide?
The IUPAC name of 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide (CID 113332803) is 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide is CC(C)CN(c1cccc(C(N)=O)c1N)C1CC1.
What is the InChIKey of 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide?
The InChIKey is DDKQOFCCQCJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)8-17(10-6-7-10)12-5-3-4-11(13(12)15)14(16)18/h3-5,9-10H,6-8,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide?
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide is sourced from PubChem (CID 113332803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).