N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide

C13H19N3O2 — CID 1132695

IUPACN-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCCC1
InChIInChI=1S/C13H19N3O2/c1-18-12-5-4-10(14)8-11(12)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,15,17)
InChIKeyYGLQQANJEBEQSF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide

N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 1132695) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID1132695
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCCC1
InChIInChI=1S/C13H19N3O2/c1-18-12-5-4-10(14)8-11(12)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,15,17)
InChIKeyYGLQQANJEBEQSF-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propacetamol
CID 68865
Pardoprunox
CID 6918525
Acetamide, N-(2-methoxyphenyl)-
CID 7135
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
3'-Amino-4'-methoxyacetanilide
CID 80779
1-Methoxy-2-amino-4-(2-hydroxyethylamino)benzene
CID 3019283
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
2-(4-Cyanomethyl-piperazin-1-yl)-N-(4-methoxy-phenyl)-acetamide
CID 586701
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide (CID 1132695) is N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide is COc1ccc(N)cc1NC(=O)CN1CCCC1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is YGLQQANJEBEQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-5-4-10(14)8-11(12)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,15,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide?
N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1132695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).