2-(4-pyrrolidin-1-ylanilino)acetamide

C12H17N3O — CID 60674358

IUPAC2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESNC(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H17N3O/c13-12(16)9-14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6,14H,1-2,7-9H2,(H2,13,16)
InChIKeyNLWQFNFKANKNDZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.18
Rot. Bonds4

About 2-(4-pyrrolidin-1-ylanilino)acetamide

2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 60674358) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID60674358
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESNC(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H17N3O/c13-12(16)9-14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6,14H,1-2,7-9H2,(H2,13,16)
InChIKeyNLWQFNFKANKNDZ-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
methyl 2-methyl-3-(4-pyrrolidin-1-ylanilino)propanoate
CID 63179747
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of 2-(4-pyrrolidin-1-ylanilino)acetamide (CID 60674358) is 2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for 2-(4-pyrrolidin-1-ylanilino)acetamide is NC(=O)CNc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is NLWQFNFKANKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)9-14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6,14H,1-2,7-9H2,(H2,13,16).
What are the key properties of 2-(4-pyrrolidin-1-ylanilino)acetamide?
2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 219.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 60674358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).