3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide

C16H21N3O2 — CID 120610888

IUPAC3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H21N3O2/c17-14-4-2-1-3-11(14)5-8-15(20)18-12-9-16(21)19(10-12)13-6-7-13/h1-4,12-13H,5-10,17H2,(H,18,20)
InChIKeyNAJOYVJYRXMXLK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.08
Rot. Bonds5

About 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide

3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide (PubChem CID 120610888) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
PubChem CID120610888
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H21N3O2/c17-14-4-2-1-3-11(14)5-8-15(20)18-12-9-16(21)19(10-12)13-6-7-13/h1-4,12-13H,5-10,17H2,(H,18,20)
InChIKeyNAJOYVJYRXMXLK-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
CID 110719748
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide (CID 120610888) is 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide is Nc1ccccc1CCC(=O)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
The InChIKey is NAJOYVJYRXMXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-14-4-2-1-3-11(14)5-8-15(20)18-12-9-16(21)19(10-12)13-6-7-13/h1-4,12-13H,5-10,17H2,(H,18,20).
What are the key properties of 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 120610888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).