3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one

C18H20N2O3 — CID 57339873

IUPAC3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(Oc2cccc(C(=O)CCN)c2)c1
InChIInChI=1S/C18H20N2O3/c19-9-7-17(21)13-3-1-5-15(11-13)23-16-6-2-4-14(12-16)18(22)8-10-20/h1-6,11-12H,7-10,19-20H2
InChIKeyJPOWNRBIZIPOQL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds8

About 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one

3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one (PubChem CID 57339873) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one
PubChem CID57339873
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(Oc2cccc(C(=O)CCN)c2)c1
InChIInChI=1S/C18H20N2O3/c19-9-7-17(21)13-3-1-5-15(11-13)23-16-6-2-4-14(12-16)18(22)8-10-20/h1-6,11-12H,7-10,19-20H2
InChIKeyJPOWNRBIZIPOQL-UHFFFAOYSA-N
XLogP2.54
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one (CID 57339873) is 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one is NCCC(=O)c1cccc(Oc2cccc(C(=O)CCN)c2)c1.
What is the InChIKey of 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one?
The InChIKey is JPOWNRBIZIPOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-9-7-17(21)13-3-1-5-15(11-13)23-16-6-2-4-14(12-16)18(22)8-10-20/h1-6,11-12H,7-10,19-20H2.
What are the key properties of 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one?
3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one has a molecular weight of 312.37 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one is sourced from PubChem (CID 57339873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).