5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one

C23H30N2O2 — CID 110200141

IUPAC5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one
SMILESCCOc1ccccc1CN1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-2-27-22-14-8-7-13-20(22)18-25-16-10-4-9-15-24-23(26)17-21(25)19-11-5-3-6-12-19/h3,5-8,11-14,21H,2,4,9-10,15-18H2,1H3,(H,24,26)
InChIKeyVIEYJLCYCIDJRA-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.32
Rot. Bonds5

About 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one

5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one (PubChem CID 110200141) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one
PubChem CID110200141
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one
SMILESCCOc1ccccc1CN1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-2-27-22-14-8-7-13-20(22)18-25-16-10-4-9-15-24-23(26)17-21(25)19-11-5-3-6-12-19/h3,5-8,11-14,21H,2,4,9-10,15-18H2,1H3,(H,24,26)
InChIKeyVIEYJLCYCIDJRA-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-7-phenyl-8-(pyridin-4-ylmethyl)-1,4,8-triazacycloundecan-5-one
CID 110201942
1-[(2-ethoxyphenyl)methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 156611878
1-[4-ethoxy-3-[(2-phenylpyrrolidin-1-yl)methyl]phenyl]ethanone
CID 112808311
1-[(2-chloro-3-hydroxyphenyl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 167925140
1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 126770107
N-[[4-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124960784
(1S,11R)-2-[(2-ethoxyphenyl)methyl]-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110202335
5-[2-(4-fluorophenoxy)acetyl]-4-phenyl-1,5-diazacycloundecan-2-one
CID 110202191
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 95722194
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one?
The IUPAC name of 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one (CID 110200141) is 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one?
The canonical SMILES for 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one is CCOc1ccccc1CN1CCCCCNC(=O)CC1c1ccccc1.
What is the InChIKey of 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one?
The InChIKey is VIEYJLCYCIDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-27-22-14-8-7-13-20(22)18-25-16-10-4-9-15-24-23(26)17-21(25)19-11-5-3-6-12-19/h3,5-8,11-14,21H,2,4,9-10,15-18H2,1H3,(H,24,26).
What are the key properties of 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one?
5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one has a molecular weight of 366.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one is sourced from PubChem (CID 110200141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).