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

C40H50N4O6 — CID 67071616

IUPACN'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide
SMILESCC(CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1)NC(=O)CCC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/C40H50N4O6/c1-27(2)47-35-19-23-39(41-25-35)49-33-15-11-31(12-16-33)9-7-29(5)43-37(45)21-22-38(46)44-30(6)8-10-32-13-17-34(18-14-32)50-40-24-20-36(26-42-40)48-28(3)4/h11-20,23-30H,7-10,21-22H2,1-6H3,(H,43,45)(H,44,46)/t29-,30?/m1/s1
InChIKeyIEGZSJBSRFVFCL-IDCGIGBZSA-N
MW682.86 g/mol
LogP7.99
Rot. Bonds19

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

N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide (PubChem CID 67071616) has the molecular formula C40H50N4O6 and a molecular weight of 682.86 g/mol. Its IUPAC name is N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide.

Molecular Properties

Compound NameN'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide
PubChem CID67071616
Molecular FormulaC40H50N4O6
Molecular Weight682.86 g/mol
Exact Mass682.37
IUPAC NameN'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide
SMILESCC(CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1)NC(=O)CCC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/C40H50N4O6/c1-27(2)47-35-19-23-39(41-25-35)49-33-15-11-31(12-16-33)9-7-29(5)43-37(45)21-22-38(46)44-30(6)8-10-32-13-17-34(18-14-32)50-40-24-20-36(26-42-40)48-28(3)4/h11-20,23-30H,7-10,21-22H2,1-6H3,(H,43,45)(H,44,46)/t29-,30?/m1/s1
InChIKeyIEGZSJBSRFVFCL-IDCGIGBZSA-N
XLogP7.99
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.86
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide with MolForge

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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]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide?
The IUPAC name of N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide (CID 67071616) is N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide.
What is the SMILES notation for N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide?
The canonical SMILES for N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide is CC(CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1)NC(=O)CCC(=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]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide?
The InChIKey is IEGZSJBSRFVFCL-IDCGIGBZSA-N. The full InChI is InChI=1S/C40H50N4O6/c1-27(2)47-35-19-23-39(41-25-35)49-33-15-11-31(12-16-33)9-7-29(5)43-37(45)21-22-38(46)44-30(6)8-10-32-13-17-34(18-14-32)50-40-24-20-36(26-42-40)48-28(3)4/h11-20,23-30H,7-10,21-22H2,1-6H3,(H,43,45)(H,44,46)/t29-,30?/m1/s1.
What are the key properties of N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide?
N'-[(2R)-4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide has a molecular weight of 682.86 g/mol, XLogP of 7.99, 19 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]-N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]butanediamide is sourced from PubChem (CID 67071616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).