N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide

C18H23N3O2 — CID 100752791

IUPACN-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide
SMILESCCOc1cccc(CC(=O)N[C@@H](C)CNc2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-3-23-18-11-7-10-16(21-18)12-17(22)20-14(2)13-19-15-8-5-4-6-9-15/h4-11,14,19H,3,12-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyIVJDCRMZHVEUBN-AWEZNQCLSA-N
MW313.40 g/mol
LogP2.64
Rot. Bonds8

About N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide

N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide (PubChem CID 100752791) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide
PubChem CID100752791
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide
SMILESCCOc1cccc(CC(=O)N[C@@H](C)CNc2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-3-23-18-11-7-10-16(21-18)12-17(22)20-14(2)13-19-15-8-5-4-6-9-15/h4-11,14,19H,3,12-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyIVJDCRMZHVEUBN-AWEZNQCLSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide?
The IUPAC name of N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide (CID 100752791) is N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide.
What is the SMILES notation for N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide?
The canonical SMILES for N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide is CCOc1cccc(CC(=O)N[C@@H](C)CNc2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide?
The InChIKey is IVJDCRMZHVEUBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-18-11-7-10-16(21-18)12-17(22)20-14(2)13-19-15-8-5-4-6-9-15/h4-11,14,19H,3,12-13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide?
N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-anilinopropan-2-yl]-2-(6-ethoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 100752791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).