1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one

C15H23NO3 — CID 112677336

IUPAC1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCOC)CCOC
InChIInChI=1S/C15H23NO3/c1-4-15(17)13-7-5-6-8-14(13)16(9-11-18-2)10-12-19-3/h5-8H,4,9-12H2,1-3H3
InChIKeyQCSGNXVPUWHAKC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.38
Rot. Bonds9

About 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one

1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one (PubChem CID 112677336) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
PubChem CID112677336
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCOC)CCOC
InChIInChI=1S/C15H23NO3/c1-4-15(17)13-7-5-6-8-14(13)16(9-11-18-2)10-12-19-3/h5-8H,4,9-12H2,1-3H3
InChIKeyQCSGNXVPUWHAKC-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one (CID 112677336) is 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(CCOC)CCOC.
What is the InChIKey of 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one?
The InChIKey is QCSGNXVPUWHAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(17)13-7-5-6-8-14(13)16(9-11-18-2)10-12-19-3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one?
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one is sourced from PubChem (CID 112677336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).