N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

C37H46N4O6 — CID 67071580

IUPACN-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(O)cn2)cc1.CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/C20H26N2O3.C17H20N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23;1-12(19-13(2)20)3-4-14-5-8-16(9-6-14)22-17-10-7-15(21)11-18-17/h7-15H,5-6H2,1-4H3,(H,22,23);5-12,21H,3-4H2,1-2H3,(H,19,20)/t15-;12-/m00/s1
InChIKeyHNVZHZGPFPJJHZ-AYKMAULUSA-N
MW642.80 g/mol
LogP7.16
Rot. Bonds14

About N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (PubChem CID 67071580) has the molecular formula C37H46N4O6 and a molecular weight of 642.80 g/mol. Its IUPAC name is N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
PubChem CID67071580
Molecular FormulaC37H46N4O6
Molecular Weight642.80 g/mol
Exact Mass642.34
IUPAC NameN-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(O)cn2)cc1.CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/C20H26N2O3.C17H20N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23;1-12(19-13(2)20)3-4-14-5-8-16(9-6-14)22-17-10-7-15(21)11-18-17/h7-15H,5-6H2,1-4H3,(H,22,23);5-12,21H,3-4H2,1-2H3,(H,19,20)/t15-;12-/m00/s1
InChIKeyHNVZHZGPFPJJHZ-AYKMAULUSA-N
XLogP7.16
TPSA131.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (CID 67071580) is N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(O)cn2)cc1.CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1.
What is the InChIKey of N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is HNVZHZGPFPJJHZ-AYKMAULUSA-N. The full InChI is InChI=1S/C20H26N2O3.C17H20N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23;1-12(19-13(2)20)3-4-14-5-8-16(9-6-14)22-17-10-7-15(21)11-18-17/h7-15H,5-6H2,1-4H3,(H,22,23);5-12,21H,3-4H2,1-2H3,(H,19,20)/t15-;12-/m00/s1.
What are the key properties of N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 642.80 g/mol, XLogP of 7.16, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[4-[(5-hydroxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[(2S)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 67071580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).