1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea

C25H32N4O5 — CID 110201009

IUPAC1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea
SMILESCCOc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCCNC(=O)CC1
InChIInChI=1S/C25H32N4O5/c1-2-34-22-11-7-6-10-20(22)27-25(32)28-21(18-19-8-4-3-5-9-19)24(31)29-14-12-23(30)26-13-16-33-17-15-29/h3-11,21H,2,12-18H2,1H3,(H,26,30)(H2,27,28,32)/t21-/m1/s1
InChIKeyFLJDUDYNIAMZQY-OAQYLSRUSA-N
MW468.55 g/mol
LogP2.18
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea

1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea (PubChem CID 110201009) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea
PubChem CID110201009
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea
SMILESCCOc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCCNC(=O)CC1
InChIInChI=1S/C25H32N4O5/c1-2-34-22-11-7-6-10-20(22)27-25(32)28-21(18-19-8-4-3-5-9-19)24(31)29-14-12-23(30)26-13-16-33-17-15-29/h3-11,21H,2,12-18H2,1H3,(H,26,30)(H2,27,28,32)/t21-/m1/s1
InChIKeyFLJDUDYNIAMZQY-OAQYLSRUSA-N
XLogP2.18
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea (CID 110201009) is 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea is CCOc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCCNC(=O)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea?
The InChIKey is FLJDUDYNIAMZQY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-2-34-22-11-7-6-10-20(22)27-25(32)28-21(18-19-8-4-3-5-9-19)24(31)29-14-12-23(30)26-13-16-33-17-15-29/h3-11,21H,2,12-18H2,1H3,(H,26,30)(H2,27,28,32)/t21-/m1/s1.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea?
1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea has a molecular weight of 468.55 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(2R)-1-oxo-1-(7-oxo-1,4,8-oxadiazecan-4-yl)-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 110201009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).