2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide

C20H17N3O6 — CID 97496690

IUPAC2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)ccc1OCC(N)=O
InChIInChI=1S/C20H17N3O6/c1-27-14-8-11(5-6-13(14)28-10-15(21)24)12-9-17(25)29-19-18(12)20(26)23-7-3-2-4-16(23)22-19/h2-8,12H,9-10H2,1H3,(H2,21,24)/t12-/m0/s1
InChIKeyZLWOYFFNPANHPG-LBPRGKRZSA-N
MW395.37 g/mol
LogP1.01
Rot. Bonds5

About 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide

2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide (PubChem CID 97496690) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide
PubChem CID97496690
Molecular FormulaC20H17N3O6
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)ccc1OCC(N)=O
InChIInChI=1S/C20H17N3O6/c1-27-14-8-11(5-6-13(14)28-10-15(21)24)12-9-17(25)29-19-18(12)20(26)23-7-3-2-4-16(23)22-19/h2-8,12H,9-10H2,1H3,(H2,21,24)/t12-/m0/s1
InChIKeyZLWOYFFNPANHPG-LBPRGKRZSA-N
XLogP1.01
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide with MolForge

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Related Compounds

4-(3,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
CID 75490162
4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
CID 75490180
4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
CID 75489167
2-[5-[(9R)-3,7-dioxo-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromen-9-yl]-2-methoxyphenoxy]acetamide
CID 99996864
2-[2-methoxy-4-[(4S)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135906156
2-[4-[(4S)-2,5-dioxo-3,4-dihydropyrano[3,2-c]chromen-4-yl]-2-methoxyphenoxy]acetic acid
CID 99996426
2-[4-[1-(1H-benzimidazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
CID 135656016
2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid
CID 97046144
2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
CID 94086184
2-[2-methoxy-4-[(4S)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 136713751
3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 5302903
2-[2-methoxy-5-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632346

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide (CID 97496690) is 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide is COc1cc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide?
The InChIKey is ZLWOYFFNPANHPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N3O6/c1-27-14-8-11(5-6-13(14)28-10-15(21)24)12-9-17(25)29-19-18(12)20(26)23-7-3-2-4-16(23)22-19/h2-8,12H,9-10H2,1H3,(H2,21,24)/t12-/m0/s1.
What are the key properties of 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide?
2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide has a molecular weight of 395.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4S)-2,6-dioxo-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-4-yl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 97496690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).