5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one

C17H26N2O2 — CID 110201407

IUPAC5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one
SMILESCOc1cccc(CN2CCCCCCNC(=O)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-8-6-7-15(13-16)14-19-11-5-3-2-4-10-18-17(20)9-12-19/h6-8,13H,2-5,9-12,14H2,1H3,(H,18,20)
InChIKeyDETMWXOOAPZYTK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds3

About 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one

5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201407) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one
PubChem CID110201407
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one
SMILESCOc1cccc(CN2CCCCCCNC(=O)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-8-6-7-15(13-16)14-19-11-5-3-2-4-10-18-17(20)9-12-19/h6-8,13H,2-5,9-12,14H2,1H3,(H,18,20)
InChIKeyDETMWXOOAPZYTK-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S,11R)-2-[(3-methoxyphenyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199304
2-[(3-methoxyphenyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 156611580
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
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ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
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4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
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CID 80679418
1-[(3-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858406
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
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CID 877620
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one (CID 110201407) is 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one is COc1cccc(CN2CCCCCCNC(=O)CC2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one?
The InChIKey is DETMWXOOAPZYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16-8-6-7-15(13-16)14-19-11-5-3-2-4-10-18-17(20)9-12-19/h6-8,13H,2-5,9-12,14H2,1H3,(H,18,20).
What are the key properties of 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one?
5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).