2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

C15H23N3O2 — CID 81420795

IUPAC2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H23N3O2/c1-11(10-18-8-3-4-9-18)17-15(19)14-12(16)6-5-7-13(14)20-2/h5-7,11H,3-4,8-10,16H2,1-2H3,(H,17,19)
InChIKeyWSSQMEOZFFXECY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds5

About 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 81420795) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID81420795
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H23N3O2/c1-11(10-18-8-3-4-9-18)17-15(19)14-12(16)6-5-7-13(14)20-2/h5-7,11H,3-4,8-10,16H2,1-2H3,(H,17,19)
InChIKeyWSSQMEOZFFXECY-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
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

2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81420315
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
6-methoxy-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95857759
2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62993945
2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61140232
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 81420795) is 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is COc1cccc(N)c1C(=O)NC(C)CN1CCCC1.
What is the InChIKey of 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is WSSQMEOZFFXECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(10-18-8-3-4-9-18)17-15(19)14-12(16)6-5-7-13(14)20-2/h5-7,11H,3-4,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 81420795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).