N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide

C22H27N3O4 — CID 110202267

IUPACN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)c2ccco2)CCCCCCN1
InChIInChI=1S/C22H27N3O4/c26-20-15-18(17-9-4-3-5-10-17)25(13-7-2-1-6-12-23-20)21(27)16-24-22(28)19-11-8-14-29-19/h3-5,8-11,14,18H,1-2,6-7,12-13,15-16H2,(H,23,26)(H,24,28)
InChIKeyUONNDMIXXUPRQF-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.66
Rot. Bonds4

About N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide (PubChem CID 110202267) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
PubChem CID110202267
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)c2ccco2)CCCCCCN1
InChIInChI=1S/C22H27N3O4/c26-20-15-18(17-9-4-3-5-10-17)25(13-7-2-1-6-12-23-20)21(27)16-24-22(28)19-11-8-14-29-19/h3-5,8-11,14,18H,1-2,6-7,12-13,15-16H2,(H,23,26)(H,24,28)
InChIKeyUONNDMIXXUPRQF-UHFFFAOYSA-N
XLogP2.66
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
CID 110200186
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-pyridin-4-ylacetamide
CID 110200231
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
CID 110200185
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200267
2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
CID 110202264
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198
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]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide
CID 110200246

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide (CID 110202267) is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide is O=C1CC(c2ccccc2)N(C(=O)CNC(=O)c2ccco2)CCCCCCN1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is UONNDMIXXUPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-20-15-18(17-9-4-3-5-10-17)25(13-7-2-1-6-12-23-20)21(27)16-24-22(28)19-11-8-14-29-19/h3-5,8-11,14,18H,1-2,6-7,12-13,15-16H2,(H,23,26)(H,24,28).
What are the key properties of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide?
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110202267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).