N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

C21H19N3O2 — CID 2963473

IUPACN-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESCc1cccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)c1
InChIInChI=1S/C21H19N3O2/c1-13-5-2-8-15(11-13)22-19(25)12-18-21(26)24-17-10-4-7-14-6-3-9-16(23-18)20(14)17/h2-11,18,23H,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyYWQBWYXHFQVQRQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.91
Rot. Bonds3

About N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (PubChem CID 2963473) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
PubChem CID2963473
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESCc1cccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)c1
InChIInChI=1S/C21H19N3O2/c1-13-5-2-8-15(11-13)22-19(25)12-18-21(26)24-17-10-4-7-14-6-3-9-16(23-18)20(14)17/h2-11,18,23H,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyYWQBWYXHFQVQRQ-UHFFFAOYSA-N
XLogP3.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (CID 2963473) is N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is Cc1cccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The InChIKey is YWQBWYXHFQVQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-5-2-8-15(11-13)22-19(25)12-18-21(26)24-17-10-4-7-14-6-3-9-16(23-18)20(14)17/h2-11,18,23H,12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is sourced from PubChem (CID 2963473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).