4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

C17H25N3O2 — CID 142098430

IUPAC4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCc1cc(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C)ccc1N
InChIInChI=1S/C17H25N3O2/c1-4-13-10-14(7-8-15(13)18)16(21)19-12(3)17(22)20-9-5-6-11(20)2/h7-8,10-12H,4-6,9,18H2,1-3H3,(H,19,21)/t11-,12+/m1/s1
InChIKeyLDXIMJSFDXELHI-NEPJUHHUSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 142098430) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID142098430
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCc1cc(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C)ccc1N
InChIInChI=1S/C17H25N3O2/c1-4-13-10-14(7-8-15(13)18)16(21)19-12(3)17(22)20-9-5-6-11(20)2/h7-8,10-12H,4-6,9,18H2,1-3H3,(H,19,21)/t11-,12+/m1/s1
InChIKeyLDXIMJSFDXELHI-NEPJUHHUSA-N
XLogP1.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 142098430) is 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is CCc1cc(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C)ccc1N.
What is the InChIKey of 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is LDXIMJSFDXELHI-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-13-10-14(7-8-15(13)18)16(21)19-12(3)17(22)20-9-5-6-11(20)2/h7-8,10-12H,4-6,9,18H2,1-3H3,(H,19,21)/t11-,12+/m1/s1.
What are the key properties of 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 303.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 142098430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).