2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

C17H27N3O — CID 106591406

IUPAC2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)c1cccc(N)c1)CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-13(12-20-8-3-4-9-20)11-19-17(21)14(2)15-6-5-7-16(18)10-15/h5-7,10,13-14H,3-4,8-9,11-12,18H2,1-2H3,(H,19,21)
InChIKeyBQYAXMNTKLPKBI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 106591406) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID106591406
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)c1cccc(N)c1)CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-13(12-20-8-3-4-9-20)11-19-17(21)14(2)15-6-5-7-16(18)10-15/h5-7,10,13-14H,3-4,8-9,11-12,18H2,1-2H3,(H,19,21)
InChIKeyBQYAXMNTKLPKBI-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.22
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

2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 57221970
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 60532999
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107162879
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (CID 106591406) is 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide is CC(CNC(=O)C(C)c1cccc(N)c1)CN1CCCC1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is BQYAXMNTKLPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(12-20-8-3-4-9-20)11-19-17(21)14(2)15-6-5-7-16(18)10-15/h5-7,10,13-14H,3-4,8-9,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 106591406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).