cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide

C20H25N3O4 — CID 165016766

IUPACcyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide
SMILESCC(=O)Nc1ccccc1.CC(=O)Nc1cccnc1.CC(=O)OC1CC1
InChIInChI=1S/C8H9NO.C7H8N2O.C5H8O2/c1-7(10)9-8-5-3-2-4-6-8;1-6(10)9-7-3-2-4-8-5-7;1-4(6)7-5-2-3-5/h2-6H,1H3,(H,9,10);2-5H,1H3,(H,9,10);5H,2-3H2,1H3
InChIKeyKNTKLGGEWMEKFO-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.40
Rot. Bonds3

About cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide

cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide (PubChem CID 165016766) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide.

Molecular Properties

Compound Namecyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide
PubChem CID165016766
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namecyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide
SMILESCC(=O)Nc1ccccc1.CC(=O)Nc1cccnc1.CC(=O)OC1CC1
InChIInChI=1S/C8H9NO.C7H8N2O.C5H8O2/c1-7(10)9-8-5-3-2-4-6-8;1-6(10)9-7-3-2-4-8-5-7;1-4(6)7-5-2-3-5/h2-6H,1H3,(H,9,10);2-5H,1H3,(H,9,10);5H,2-3H2,1H3
InChIKeyKNTKLGGEWMEKFO-UHFFFAOYSA-N
XLogP3.40
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide?
The IUPAC name of cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide (CID 165016766) is cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide.
What is the SMILES notation for cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide?
The canonical SMILES for cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide is CC(=O)Nc1ccccc1.CC(=O)Nc1cccnc1.CC(=O)OC1CC1.
What is the InChIKey of cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide?
The InChIKey is KNTKLGGEWMEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C7H8N2O.C5H8O2/c1-7(10)9-8-5-3-2-4-6-8;1-6(10)9-7-3-2-4-8-5-7;1-4(6)7-5-2-3-5/h2-6H,1H3,(H,9,10);2-5H,1H3,(H,9,10);5H,2-3H2,1H3.
What are the key properties of cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide?
cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide has a molecular weight of 371.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide is sourced from PubChem (CID 165016766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).