2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C22H21N5O3 — CID 53172394

IUPAC2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21
InChIInChI=1S/C22H21N5O3/c1-30-19-7-3-2-5-15(19)12-24-20(28)13-26-17-6-4-10-23-21(17)27-18(22(26)29)11-16(25-27)14-8-9-14/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,28)
InChIKeyNVVLTBNJVYMEMS-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.25
Rot. Bonds6

About 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 53172394) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID53172394
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21
InChIInChI=1S/C22H21N5O3/c1-30-19-7-3-2-5-15(19)12-24-20(28)13-26-17-6-4-10-23-21(17)27-18(22(26)29)11-16(25-27)14-8-9-14/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,28)
InChIKeyNVVLTBNJVYMEMS-UHFFFAOYSA-N
XLogP2.25
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172395
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2-phenylethyl)acetamide
CID 53172403
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172397
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide
CID 53172348
N-[(2-chlorophenyl)methyl]-2-(4-methyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172386
2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172416
N-[(2,4-dimethoxyphenyl)methyl]-2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]acetamide
CID 53001236
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 134804738

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 53172394) is 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21.
What is the InChIKey of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is NVVLTBNJVYMEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-30-19-7-3-2-5-15(19)12-24-20(28)13-26-17-6-4-10-23-21(17)27-18(22(26)29)11-16(25-27)14-8-9-14/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,28).
What are the key properties of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53172394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).