3-anilino-1-cyclopropyl-3-phenylpropan-1-one

C18H19NO — CID 2802401

IUPAC3-anilino-1-cyclopropyl-3-phenylpropan-1-one
SMILESO=C(CC(Nc1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C18H19NO/c20-18(15-11-12-15)13-17(14-7-3-1-4-8-14)19-16-9-5-2-6-10-16/h1-10,15,17,19H,11-13H2
InChIKeyPKKWOYJMFQLXOZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.21
Rot. Bonds6

About 3-anilino-1-cyclopropyl-3-phenylpropan-1-one

3-anilino-1-cyclopropyl-3-phenylpropan-1-one (PubChem CID 2802401) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-anilino-1-cyclopropyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-anilino-1-cyclopropyl-3-phenylpropan-1-one
PubChem CID2802401
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-anilino-1-cyclopropyl-3-phenylpropan-1-one
SMILESO=C(CC(Nc1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C18H19NO/c20-18(15-11-12-15)13-17(14-7-3-1-4-8-14)19-16-9-5-2-6-10-16/h1-10,15,17,19H,11-13H2
InChIKeyPKKWOYJMFQLXOZ-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-cyclopropyl-3-phenylpropan-1-one?
The IUPAC name of 3-anilino-1-cyclopropyl-3-phenylpropan-1-one (CID 2802401) is 3-anilino-1-cyclopropyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-anilino-1-cyclopropyl-3-phenylpropan-1-one?
The canonical SMILES for 3-anilino-1-cyclopropyl-3-phenylpropan-1-one is O=C(CC(Nc1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of 3-anilino-1-cyclopropyl-3-phenylpropan-1-one?
The InChIKey is PKKWOYJMFQLXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(15-11-12-15)13-17(14-7-3-1-4-8-14)19-16-9-5-2-6-10-16/h1-10,15,17,19H,11-13H2.
What are the key properties of 3-anilino-1-cyclopropyl-3-phenylpropan-1-one?
3-anilino-1-cyclopropyl-3-phenylpropan-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-cyclopropyl-3-phenylpropan-1-one is sourced from PubChem (CID 2802401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).