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

C24H35N3O3 — CID 110202264

IUPAC2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCC(=O)N1CCCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C24H35N3O3/c28-22(16-19-10-6-7-11-19)26-18-24(30)27-15-9-2-1-8-14-25-23(29)17-21(27)20-12-4-3-5-13-20/h3-5,12-13,19,21H,1-2,6-11,14-18H2,(H,25,29)(H,26,28)
InChIKeyUHXHLLRSWDTXRY-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.33
Rot. Bonds5

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

2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide (PubChem CID 110202264) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
PubChem CID110202264
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCC(=O)N1CCCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C24H35N3O3/c28-22(16-19-10-6-7-11-19)26-18-24(30)27-15-9-2-1-8-14-25-23(29)17-21(27)20-12-4-3-5-13-20/h3-5,12-13,19,21H,1-2,6-11,14-18H2,(H,25,29)(H,26,28)
InChIKeyUHXHLLRSWDTXRY-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]cyclohexanecarboxamide
CID 110200185
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266
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
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
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-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
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
CID 110202252
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide (CID 110202264) is 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide is O=C(CC1CCCC1)NCC(=O)N1CCCCCCNC(=O)CC1c1ccccc1.
What is the InChIKey of 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide?
The InChIKey is UHXHLLRSWDTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-22(16-19-10-6-7-11-19)26-18-24(30)27-15-9-2-1-8-14-25-23(29)17-21(27)20-12-4-3-5-13-20/h3-5,12-13,19,21H,1-2,6-11,14-18H2,(H,25,29)(H,26,28).
What are the key properties of 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide?
2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide has a molecular weight of 413.56 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide is sourced from PubChem (CID 110202264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).