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

C23H28N4O3 — CID 110200269

IUPAC1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)Nc2ccccc2)CCCCCN1
InChIInChI=1S/C23H28N4O3/c28-21-16-20(18-10-4-1-5-11-18)27(15-9-3-8-14-24-21)22(29)17-25-23(30)26-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,24,28)(H2,25,26,30)
InChIKeyNVXWDQMMXPJCTH-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.07
Rot. Bonds4

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

1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea (PubChem CID 110200269) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
PubChem CID110200269
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)Nc2ccccc2)CCCCCN1
InChIInChI=1S/C23H28N4O3/c28-21-16-20(18-10-4-1-5-11-18)27(15-9-3-8-14-24-21)22(29)17-25-23(30)26-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,24,28)(H2,25,26,30)
InChIKeyNVXWDQMMXPJCTH-UHFFFAOYSA-N
XLogP3.07
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea (CID 110200269) is 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea is O=C1CC(c2ccccc2)N(C(=O)CNC(=O)Nc2ccccc2)CCCCCN1.
What is the InChIKey of 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea?
The InChIKey is NVXWDQMMXPJCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-21-16-20(18-10-4-1-5-11-18)27(15-9-3-8-14-24-21)22(29)17-25-23(30)26-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,24,28)(H2,25,26,30).
What are the key properties of 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea?
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea has a molecular weight of 408.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 110200269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).