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

C21H24N4O4 — CID 143746678

IUPAC4-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
SMILESCCC1CN2C=Nc3oc(C)c(C(=O)NCCc4ccc(OC)c(O)c4)c3C2=N1
InChIInChI=1S/C21H24N4O4/c1-4-14-10-25-11-23-21-18(19(25)24-14)17(12(2)29-21)20(27)22-8-7-13-5-6-16(28-3)15(26)9-13/h5-6,9,11,14,26H,4,7-8,10H2,1-3H3,(H,22,27)
InChIKeyNIRXAFLWIQRWEF-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.79
Rot. Bonds6

About 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

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 (PubChem CID 143746678) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID143746678
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name4-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
SMILESCCC1CN2C=Nc3oc(C)c(C(=O)NCCc4ccc(OC)c(O)c4)c3C2=N1
InChIInChI=1S/C21H24N4O4/c1-4-14-10-25-11-23-21-18(19(25)24-14)17(12(2)29-21)20(27)22-8-7-13-5-6-16(28-3)15(26)9-13/h5-6,9,11,14,26H,4,7-8,10H2,1-3H3,(H,22,27)
InChIKeyNIRXAFLWIQRWEF-UHFFFAOYSA-N
XLogP2.79
TPSA99.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

(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
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
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
CID 82110100
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491
11-methyl-N-[(4-methylsulfanylphenyl)methyl]-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210308
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210254
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56902904
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CN2C=Nc3oc(C)c(C(=O)NCCc4ccc(OC)c(O)c4)c3C2=N1.
What is the InChIKey of 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?
The InChIKey is NIRXAFLWIQRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-14-10-25-11-23-21-18(19(25)24-14)17(12(2)29-21)20(27)22-8-7-13-5-6-16(28-3)15(26)9-13/h5-6,9,11,14,26H,4,7-8,10H2,1-3H3,(H,22,27).
What are the key properties of 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?
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 has a molecular weight of 396.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143746678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).