5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one

C21H30N2O2 — CID 110200135

IUPAC5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
SMILESO=C1CC(c2ccccc2)N(C(=O)CC2CCCC2)CCCCCN1
InChIInChI=1S/C21H30N2O2/c24-20-16-19(18-11-3-1-4-12-18)23(14-8-2-7-13-22-20)21(25)15-17-9-5-6-10-17/h1,3-4,11-12,17,19H,2,5-10,13-16H2,(H,22,24)
InChIKeyHJFOPTCTEVZYTR-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.83
Rot. Bonds3

About 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one

5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one (PubChem CID 110200135) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one.

Molecular Properties

Compound Name5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
PubChem CID110200135
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
SMILESO=C1CC(c2ccccc2)N(C(=O)CC2CCCC2)CCCCCN1
InChIInChI=1S/C21H30N2O2/c24-20-16-19(18-11-3-1-4-12-18)23(14-8-2-7-13-22-20)21(25)15-17-9-5-6-10-17/h1,3-4,11-12,17,19H,2,5-10,13-16H2,(H,22,24)
InChIKeyHJFOPTCTEVZYTR-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
CID 110200185
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198
5-[2-(4-fluorophenoxy)acetyl]-4-phenyl-1,5-diazacycloundecan-2-one
CID 110202191
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
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
4-phenyl-5-(thiophene-3-carbonyl)-1,5-diazecan-2-one
CID 110200133
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200203

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one?
The IUPAC name of 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one (CID 110200135) is 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one.
What is the SMILES notation for 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one?
The canonical SMILES for 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one is O=C1CC(c2ccccc2)N(C(=O)CC2CCCC2)CCCCCN1.
What is the InChIKey of 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one?
The InChIKey is HJFOPTCTEVZYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20-16-19(18-11-3-1-4-12-18)23(14-8-2-7-13-22-20)21(25)15-17-9-5-6-10-17/h1,3-4,11-12,17,19H,2,5-10,13-16H2,(H,22,24).
What are the key properties of 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one?
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one is sourced from PubChem (CID 110200135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).