3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide

C17H25N3O — CID 104502509

IUPAC3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
SMILESCC(CC(=O)NC1CCN(C2CC2)C1)c1ccc(N)cc1
InChIInChI=1S/C17H25N3O/c1-12(13-2-4-14(18)5-3-13)10-17(21)19-15-8-9-20(11-15)16-6-7-16/h2-5,12,15-16H,6-11,18H2,1H3,(H,19,21)
InChIKeyBLOICDUSYFILFH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.12
Rot. Bonds5

About 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide

3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide (PubChem CID 104502509) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
PubChem CID104502509
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
SMILESCC(CC(=O)NC1CCN(C2CC2)C1)c1ccc(N)cc1
InChIInChI=1S/C17H25N3O/c1-12(13-2-4-14(18)5-3-13)10-17(21)19-15-8-9-20(11-15)16-6-7-16/h2-5,12,15-16H,6-11,18H2,1H3,(H,19,21)
InChIKeyBLOICDUSYFILFH-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221628
3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
CID 104502552
3-(4-aminophenyl)-N-[(1R)-1-cyclohexylethyl]butanamide
CID 104502868
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 62816717
2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 94795684
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(4-aminophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106026170
3-(4-aminophenyl)-N-morpholin-4-ylbutanamide
CID 104502944
3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 104502977

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide (CID 104502509) is 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide is CC(CC(=O)NC1CCN(C2CC2)C1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide?
The InChIKey is BLOICDUSYFILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(13-2-4-14(18)5-3-13)10-17(21)19-15-8-9-20(11-15)16-6-7-16/h2-5,12,15-16H,6-11,18H2,1H3,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide?
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide has a molecular weight of 287.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 104502509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).