4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide

C14H23N3O — CID 68881378

IUPAC4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide
SMILESCN(C)CCC(C)(C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,9-10-17(3)4)16-13(18)11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3,(H,16,18)
InChIKeyNRZHELJFMMQVAY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds5

About 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide

4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide (PubChem CID 68881378) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide
PubChem CID68881378
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide
SMILESCN(C)CCC(C)(C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,9-10-17(3)4)16-13(18)11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3,(H,16,18)
InChIKeyNRZHELJFMMQVAY-UHFFFAOYSA-N
XLogP1.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide (CID 68881378) is 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide is CN(C)CCC(C)(C)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide?
The InChIKey is NRZHELJFMMQVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,9-10-17(3)4)16-13(18)11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide?
4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide has a molecular weight of 249.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide is sourced from PubChem (CID 68881378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).