N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide

C23H33N3O3 — CID 110200185

IUPACN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)C2CCCCC2)CCCCCN1
InChIInChI=1S/C23H33N3O3/c27-21-16-20(18-10-4-1-5-11-18)26(15-9-3-8-14-24-21)22(28)17-25-23(29)19-12-6-2-7-13-19/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,24,27)(H,25,29)
InChIKeyWDWRSFQKLXUGEG-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.94
Rot. Bonds4

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

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 110200185) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID110200185
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)C2CCCCC2)CCCCCN1
InChIInChI=1S/C23H33N3O3/c27-21-16-20(18-10-4-1-5-11-18)26(15-9-3-8-14-24-21)22(28)17-25-23(29)19-12-6-2-7-13-19/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,24,27)(H,25,29)
InChIKeyWDWRSFQKLXUGEG-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
CID 110202264
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200267
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-pyridin-4-ylacetamide
CID 110200231
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
CID 110200135
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
CID 110200186
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
CID 110202252
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200203
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide (CID 110200185) is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide is O=C1CC(c2ccccc2)N(C(=O)CNC(=O)C2CCCCC2)CCCCCN1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is WDWRSFQKLXUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-21-16-20(18-10-4-1-5-11-18)26(15-9-3-8-14-24-21)22(28)17-25-23(29)19-12-6-2-7-13-19/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,24,27)(H,25,29).
What are the key properties of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 110200185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).