3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide

C16H25NO3 — CID 110480490

IUPAC3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide
SMILESCOCCC(=O)NCCc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-14-7-5-6-13(12-14)8-10-17-15(18)9-11-19-4/h5-7,12H,8-11H2,1-4H3,(H,17,18)
InChIKeySDBXTBDLDZYTBS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.56
Rot. Bonds7

About 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide

3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide (PubChem CID 110480490) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide
PubChem CID110480490
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide
SMILESCOCCC(=O)NCCc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-14-7-5-6-13(12-14)8-10-17-15(18)9-11-19-4/h5-7,12H,8-11H2,1-4H3,(H,17,18)
InChIKeySDBXTBDLDZYTBS-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide (CID 110480490) is 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide is COCCC(=O)NCCc1cccc(OC(C)(C)C)c1.
What is the InChIKey of 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide?
The InChIKey is SDBXTBDLDZYTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)20-14-7-5-6-13(12-14)8-10-17-15(18)9-11-19-4/h5-7,12H,8-11H2,1-4H3,(H,17,18).
What are the key properties of 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide?
3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide is sourced from PubChem (CID 110480490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).