(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

C22H26N4O4 — CID 98318567

IUPAC(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCC[C@@H]1CN2C=Nc3oc(C)c(C(=O)NCCc4ccc(OC)c(OC)c4)c3C2=N1
InChIInChI=1S/C22H26N4O4/c1-5-15-11-26-12-24-22-19(20(26)25-15)18(13(2)30-22)21(27)23-9-8-14-6-7-16(28-3)17(10-14)29-4/h6-7,10,12,15H,5,8-9,11H2,1-4H3,(H,23,27)/t15-/m1/s1
InChIKeySKRNLAPXOAWIPX-OAHLLOKOSA-N
MW410.47 g/mol
LogP3.09
Rot. Bonds7

About (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (PubChem CID 98318567) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
PubChem CID98318567
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCC[C@@H]1CN2C=Nc3oc(C)c(C(=O)NCCc4ccc(OC)c(OC)c4)c3C2=N1
InChIInChI=1S/C22H26N4O4/c1-5-15-11-26-12-24-22-19(20(26)25-15)18(13(2)30-22)21(27)23-9-8-14-6-7-16(28-3)17(10-14)29-4/h6-7,10,12,15H,5,8-9,11H2,1-4H3,(H,23,27)/t15-/m1/s1
InChIKeySKRNLAPXOAWIPX-OAHLLOKOSA-N
XLogP3.09
TPSA88.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide with MolForge

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Related Compounds

4-ethyl-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 143746678
N-[2-(3,4-dimethoxyphenyl)ethyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210163
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906942
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate
CID 13206091
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9458091
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691269
5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 22518846

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The IUPAC name of (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (CID 98318567) is (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.
What is the SMILES notation for (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The canonical SMILES for (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is CC[C@@H]1CN2C=Nc3oc(C)c(C(=O)NCCc4ccc(OC)c(OC)c4)c3C2=N1.
What is the InChIKey of (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The InChIKey is SKRNLAPXOAWIPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-5-15-11-26-12-24-22-19(20(26)25-15)18(13(2)30-22)21(27)23-9-8-14-6-7-16(28-3)17(10-14)29-4/h6-7,10,12,15H,5,8-9,11H2,1-4H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is sourced from PubChem (CID 98318567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).