2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide

C14H21N3O — CID 55130364

IUPAC2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(N)=O)C2CCCC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-6-7-12(8-13(10)15)17(9-14(16)18)11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3,(H2,16,18)
InChIKeyBIBQAFNICJVRRD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide

2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide (PubChem CID 55130364) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
PubChem CID55130364
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(N)=O)C2CCCC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-6-7-12(8-13(10)15)17(9-14(16)18)11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3,(H2,16,18)
InChIKeyBIBQAFNICJVRRD-UHFFFAOYSA-N
XLogP1.81
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.81
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 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
The IUPAC name of 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide (CID 55130364) is 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide.
What is the SMILES notation for 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
The canonical SMILES for 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide is Cc1ccc(N(CC(N)=O)C2CCCC2)cc1N.
What is the InChIKey of 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
The InChIKey is BIBQAFNICJVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-7-12(8-13(10)15)17(9-14(16)18)11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3,(H2,16,18).
What are the key properties of 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide is sourced from PubChem (CID 55130364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).