N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

C20H26N2O3 — CID 44554862

IUPACN-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyCHLNWUAMDPEDES-HNNXBMFYSA-N
MW342.44 g/mol
LogP4.12
Rot. Bonds8

About N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (PubChem CID 44554862) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
PubChem CID44554862
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyCHLNWUAMDPEDES-HNNXBMFYSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (CID 44554862) is N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1.
What is the InChIKey of N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is CHLNWUAMDPEDES-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 44554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).