1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide

C16H21N3O2 — CID 60939744

IUPAC1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ccc(CC(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H21N3O2/c17-12-5-3-11(4-6-12)10-15(20)19-9-1-2-14(19)16(21)18-13-7-8-13/h3-6,13-14H,1-2,7-10,17H2,(H,18,21)
InChIKeyQYYTWVXAAYNOIZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.08
Rot. Bonds4

About 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide

1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 60939744) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID60939744
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ccc(CC(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H21N3O2/c17-12-5-3-11(4-6-12)10-15(20)19-9-1-2-14(19)16(21)18-13-7-8-13/h3-6,13-14H,1-2,7-10,17H2,(H,18,21)
InChIKeyQYYTWVXAAYNOIZ-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 60939744) is 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide is Nc1ccc(CC(=O)N2CCCC2C(=O)NC2CC2)cc1.
What is the InChIKey of 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is QYYTWVXAAYNOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-12-5-3-11(4-6-12)10-15(20)19-9-1-2-14(19)16(21)18-13-7-8-13/h3-6,13-14H,1-2,7-10,17H2,(H,18,21).
What are the key properties of 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60939744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).