2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide

C15H21N3O — CID 62981648

IUPAC2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21N3O/c16-15(19)9-11-1-3-12(4-2-11)17-13-7-8-18(10-13)14-5-6-14/h1-4,13-14,17H,5-10H2,(H2,16,19)
InChIKeyBMKDENFDDCMDBE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.36
Rot. Bonds5

About 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide

2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide (PubChem CID 62981648) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide
PubChem CID62981648
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21N3O/c16-15(19)9-11-1-3-12(4-2-11)17-13-7-8-18(10-13)14-5-6-14/h1-4,13-14,17H,5-10H2,(H2,16,19)
InChIKeyBMKDENFDDCMDBE-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide (CID 62981648) is 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide is NC(=O)Cc1ccc(NC2CCN(C3CC3)C2)cc1.
What is the InChIKey of 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide?
The InChIKey is BMKDENFDDCMDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15(19)9-11-1-3-12(4-2-11)17-13-7-8-18(10-13)14-5-6-14/h1-4,13-14,17H,5-10H2,(H2,16,19).
What are the key properties of 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide?
2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 62981648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).