5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide

C16H25N3O — CID 114542665

IUPAC5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H25N3O/c1-16(2)8-7-12(10-16)18-15(20)13-9-11(17)5-6-14(13)19(3)4/h5-6,9,12H,7-8,10,17H2,1-4H3,(H,18,20)
InChIKeyYYBGXVZOJDDEIZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide

5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide (PubChem CID 114542665) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide
PubChem CID114542665
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H25N3O/c1-16(2)8-7-12(10-16)18-15(20)13-9-11(17)5-6-14(13)19(3)4/h5-6,9,12H,7-8,10,17H2,1-4H3,(H,18,20)
InChIKeyYYBGXVZOJDDEIZ-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide (CID 114542665) is 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide is CN(C)c1ccc(N)cc1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide?
The InChIKey is YYBGXVZOJDDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)8-7-12(10-16)18-15(20)13-9-11(17)5-6-14(13)19(3)4/h5-6,9,12H,7-8,10,17H2,1-4H3,(H,18,20).
What are the key properties of 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide?
5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(3,3-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 114542665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).