N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

C23H27N3O4 — CID 53140379

IUPACN-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
SMILESCOCCn1cc2c3c(cccc31)CN(C(=O)Nc1ccc(OC)cc1OC)CC2
InChIInChI=1S/C23H27N3O4/c1-28-12-11-25-14-17-9-10-26(15-16-5-4-6-20(25)22(16)17)23(27)24-19-8-7-18(29-2)13-21(19)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyLFNPMMDLNHHOOQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.90
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 53140379) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
PubChem CID53140379
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
SMILESCOCCn1cc2c3c(cccc31)CN(C(=O)Nc1ccc(OC)cc1OC)CC2
InChIInChI=1S/C23H27N3O4/c1-28-12-11-25-14-17-9-10-26(15-16-5-4-6-20(25)22(16)17)23(27)24-19-8-7-18(29-2)13-21(19)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyLFNPMMDLNHHOOQ-UHFFFAOYSA-N
XLogP3.90
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide with MolForge

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Related Compounds

3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140415
2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone
CID 53140198
N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140338
1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]-4-phenylbutan-1-one
CID 53140207
3-methyl-N-(3,4,5-trimethoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140431
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 121153630
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
CID 71754385
N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15999116
N-(4-bromo-2-fluorophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140428
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 20907631
N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140334
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (CID 53140379) is N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is COCCn1cc2c3c(cccc31)CN(C(=O)Nc1ccc(OC)cc1OC)CC2.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The InChIKey is LFNPMMDLNHHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-28-12-11-25-14-17-9-10-26(15-16-5-4-6-20(25)22(16)17)23(27)24-19-8-7-18(29-2)13-21(19)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 53140379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).