N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide

C23H28N4O2 — CID 55594112

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)nc2c1nc1n2CCCCC1
InChIInChI=1S/C23H28N4O2/c1-4-26(15-17-9-11-18(29-3)12-10-17)23(28)19-14-16(2)24-22-21(19)25-20-8-6-5-7-13-27(20)22/h9-12,14H,4-8,13,15H2,1-3H3
InChIKeyXNAYKLWABQAGGN-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.14
Rot. Bonds5

About N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide (PubChem CID 55594112) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
PubChem CID55594112
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)nc2c1nc1n2CCCCC1
InChIInChI=1S/C23H28N4O2/c1-4-26(15-17-9-11-18(29-3)12-10-17)23(28)19-14-16(2)24-22-21(19)25-20-8-6-5-7-13-27(20)22/h9-12,14H,4-8,13,15H2,1-3H3
InChIKeyXNAYKLWABQAGGN-UHFFFAOYSA-N
XLogP4.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide (CID 55594112) is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)nc2c1nc1n2CCCCC1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The InChIKey is XNAYKLWABQAGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-26(15-17-9-11-18(29-3)12-10-17)23(28)19-14-16(2)24-22-21(19)25-20-8-6-5-7-13-27(20)22/h9-12,14H,4-8,13,15H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide is sourced from PubChem (CID 55594112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).