N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide

C24H27N5O2 — CID 23603026

IUPACN-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(C)nc2c3c(C)cc(C)nc3nn2c1C
InChIInChI=1S/C24H27N5O2/c1-14-12-15(2)26-23-22(14)24-27-16(3)19(17(4)29(24)28-23)10-11-21(30)25-13-18-8-6-7-9-20(18)31-5/h6-9,12H,10-11,13H2,1-5H3,(H,25,30)
InChIKeyZAXPKCRJJHYPJR-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.77
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide

N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide (PubChem CID 23603026) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
PubChem CID23603026
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(C)nc2c3c(C)cc(C)nc3nn2c1C
InChIInChI=1S/C24H27N5O2/c1-14-12-15(2)26-23-22(14)24-27-16(3)19(17(4)29(24)28-23)10-11-21(30)25-13-18-8-6-7-9-20(18)31-5/h6-9,12H,10-11,13H2,1-5H3,(H,25,30)
InChIKeyZAXPKCRJJHYPJR-UHFFFAOYSA-N
XLogP3.77
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
CID 126458614
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20862904
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 8927244
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 118732386
N-(2-methoxyphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 122175613
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 60566048
N-hexyl-3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863291
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
N-(quinolin-8-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71883233
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide (CID 23603026) is N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide is COc1ccccc1CNC(=O)CCc1c(C)nc2c3c(C)cc(C)nc3nn2c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
The InChIKey is ZAXPKCRJJHYPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-14-12-15(2)26-23-22(14)24-27-16(3)19(17(4)29(24)28-23)10-11-21(30)25-13-18-8-6-7-9-20(18)31-5/h6-9,12H,10-11,13H2,1-5H3,(H,25,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide is sourced from PubChem (CID 23603026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).