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

C40H52N4O6 — CID 67071615

IUPACN-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1.CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/2C20H26N2O3/c2*1-14(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/h2*7-15H,5-6H2,1-4H3,(H,22,23)/t15-;/m1./s1
InChIKeyWFAVUVAEGOGQQR-XFULWGLBSA-N
MW684.88 g/mol
LogP8.24
Rot. Bonds16

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

N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (PubChem CID 67071615) has the molecular formula C40H52N4O6 and a molecular weight of 684.88 g/mol. Its IUPAC name is N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
PubChem CID67071615
Molecular FormulaC40H52N4O6
Molecular Weight684.88 g/mol
Exact Mass684.39
IUPAC NameN-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1.CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/2C20H26N2O3/c2*1-14(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/h2*7-15H,5-6H2,1-4H3,(H,22,23)/t15-;/m1./s1
InChIKeyWFAVUVAEGOGQQR-XFULWGLBSA-N
XLogP8.24
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (CID 67071615) is N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1.CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1.
What is the InChIKey of N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is WFAVUVAEGOGQQR-XFULWGLBSA-N. The full InChI is InChI=1S/2C20H26N2O3/c2*1-14(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/h2*7-15H,5-6H2,1-4H3,(H,22,23)/t15-;/m1./s1.
What are the key properties of N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 684.88 g/mol, XLogP of 8.24, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide;N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 67071615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).