4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one

C24H30N2O2 — CID 110202198

IUPAC4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CC(c2ccccc2)N(C(=O)CCc2ccccc2)CCCCCCN1
InChIInChI=1S/C24H30N2O2/c27-23-19-22(21-13-7-4-8-14-21)26(18-10-2-1-9-17-25-23)24(28)16-15-20-11-5-3-6-12-20/h3-8,11-14,22H,1-2,9-10,15-19H2,(H,25,27)
InChIKeyFTTHLXTYENOBNX-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.27
Rot. Bonds4

About 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one

4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one (PubChem CID 110202198) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
PubChem CID110202198
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CC(c2ccccc2)N(C(=O)CCc2ccccc2)CCCCCCN1
InChIInChI=1S/C24H30N2O2/c27-23-19-22(21-13-7-4-8-14-21)26(18-10-2-1-9-17-25-23)24(28)16-15-20-11-5-3-6-12-20/h3-8,11-14,22H,1-2,9-10,15-19H2,(H,25,27)
InChIKeyFTTHLXTYENOBNX-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
CID 110200135
5-[2-(4-fluorophenoxy)acetyl]-4-phenyl-1,5-diazacycloundecan-2-one
CID 110202191
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]cyclohexanecarboxamide
CID 110200185
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
(2S)-2-phenyl-9-(3-phenylpropanoyl)-1,5,9,14-tetrazabicyclo[12.3.1]octadecan-4-one
CID 15840281
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
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
methyl 5-(9-ethyl-4-oxo-2-phenyl-1,5,9-triazacyclotridec-1-yl)-5-oxopentanoate
CID 164688195
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one (CID 110202198) is 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one is O=C1CC(c2ccccc2)N(C(=O)CCc2ccccc2)CCCCCCN1.
What is the InChIKey of 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one?
The InChIKey is FTTHLXTYENOBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23-19-22(21-13-7-4-8-14-21)26(18-10-2-1-9-17-25-23)24(28)16-15-20-11-5-3-6-12-20/h3-8,11-14,22H,1-2,9-10,15-19H2,(H,25,27).
What are the key properties of 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one?
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110202198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).