1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea

C25H32N4O4 — CID 110200275

IUPAC1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C25H32N4O4/c1-2-33-22-14-8-7-13-20(22)28-25(32)27-18-24(31)29-16-10-4-9-15-26-23(30)17-21(29)19-11-5-3-6-12-19/h3,5-8,11-14,21H,2,4,9-10,15-18H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyMZVDIJNSMJZGCQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.47
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea

1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea (PubChem CID 110200275) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea
PubChem CID110200275
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C25H32N4O4/c1-2-33-22-14-8-7-13-20(22)28-25(32)27-18-24(31)29-16-10-4-9-15-26-23(30)17-21(29)19-11-5-3-6-12-19/h3,5-8,11-14,21H,2,4,9-10,15-18H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyMZVDIJNSMJZGCQ-UHFFFAOYSA-N
XLogP3.47
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea (CID 110200275) is 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea is CCOc1ccccc1NC(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea?
The InChIKey is MZVDIJNSMJZGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-2-33-22-14-8-7-13-20(22)28-25(32)27-18-24(31)29-16-10-4-9-15-26-23(30)17-21(29)19-11-5-3-6-12-19/h3,5-8,11-14,21H,2,4,9-10,15-18H2,1H3,(H,26,30)(H2,27,28,32).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea?
1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea has a molecular weight of 452.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea is sourced from PubChem (CID 110200275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).